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BMRB: 17711

2LEH

Solution structure of the core SMN-Gemin2 complex

Authors

Sarachan, K.L., Valentine, K., Gupta, K., Moorman, V., Gledhill, J., Bernens, M., Tommos, C., Wand, A.JOSHUA., Van Duyne, G.

Assembly

SMN-Gemin2 complex

Entity

1. gemin2 (polymer, Thiol state: all free), 189 monomers, 21586.21 Da Detail

GYSPTLQWQQ QQVAQFSTVR QNVNKHRSHW KSQQLDSNVT MPKSEDEEGW KKFCLGEKLC ADGAVGPATN ESPGIDYVQI GFPPLLSIVS RMNQATVTSV LEYLSNWFGE RDFTPELGRW LYALLACLEK PLLPEAHSLI RQLARRCSEV RLLVDSKDDE RVPALNLLIC LVSRYFDQRD LADEPSLEY

2. smn (polymer, Thiol state: not present), 26 monomers, 2860.046 Da Detail

GQSDDSDIWD DTALIKAYDK AVASFK

Total weight

24446.258 Da

Max. entity weight

21586.21 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.5 %, Completeness: 90.3 %, Completeness (bb): 95.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.3 % (2281 of 2527)	88.9 % (1170 of 1316)	92.0 % (902 of 980)	90.5 % (209 of 231)
Backbone	95.3 % (1208 of 1268)	94.9 % (407 of 429)	95.0 % (603 of 635)	97.1 % (198 of 204)
Sidechain	86.6 % (1268 of 1464)	86.0 % (763 of 887)	89.8 % (494 of 550)	40.7 % (11 of 27)
Aromatic	71.0 % (149 of 210)	72.4 % (76 of 105)	67.7 % (67 of 99)	100.0 % (6 of 6)
Methyl	98.7 % (231 of 234)	98.3 % (115 of 117)	99.1 % (116 of 117)

1. gemin2

2. smn

GQSDDSDIWD DTALIKAYDK AVASFK

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
2	smn	[U-99% 13C; U-99% 15N]	1.0 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	50 mM
5	EDTA	natural abundance	50 uM
6	sodium azide	natural abundance	200 nM
7	sodium phosphate	natural abundance	34.25 mM
8	potassium phosphate	natural abundance	15.75 mM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
11	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
12	smn	[U-99% 13C; U-99% 15N]	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	DTT	[U-98% 2H]	50 mM
15	EDTA	natural abundance	50 uM
16	sodium azide	natural abundance	200 nM
17	sodium phosphate	natural abundance	34.25 mM
18	potassium phosphate	natural abundance	15.75 mM
19	D2O	natural abundance	100 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
20	gemin2	[U-10% 13C; U-99% 15N]	1.0 mM
21	smn	[U-10% 13C; U-99% 15N]	1.0 mM
22	sodium chloride	natural abundance	50 mM
23	DTT	natural abundance	50 mM
24	EDTA	natural abundance	50 uM
25	sodium azide	natural abundance	200 nM
26	sodium phosphate	natural abundance	34.25 mM
27	potassium phosphate	natural abundance	15.75 mM
28	H2O	natural abundance	95 %
29	D2O	natural abundance	5 %

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
30	gemin2	[U-98% 15N]-Leu	1.0 mM
31	smn	natural abundance	1.0 mM
32	sodium chloride	natural abundance	50 mM
33	DTT	natural abundance	50 mM
34	EDTA	natural abundance	50 uM
35	sodium azide	natural abundance	200 nM
36	sodium phosphate	natural abundance	34.25 mM
37	potassium phosphate	natural abundance	15.75 mM
38	H2O	natural abundance	95 %
39	D2O	natural abundance	5 %

Sample #5

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
40	gemin2	natural abundance	1.0 mM
41	smn	[U-99% 15N]	1.0 mM
42	sodium chloride	natural abundance	50 mM
43	DTT	natural abundance	50 mM
44	EDTA	natural abundance	50 uM
45	sodium azide	natural abundance	200 nM
46	sodium phosphate	natural abundance	34.25 mM
47	potassium phosphate	natural abundance	15.75 mM
48	H2O	natural abundance	95 %
49	D2O	natural abundance	5 %

Sample #6

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
50	gemin2	[U-99% 15N]	1.0 mM
51	smn	[U-99% 15N]	1.0 mM
52	sodium chloride	natural abundance	50 mM
53	DTT	natural abundance	50 mM
54	EDTA	natural abundance	50 uM
55	sodium azide	natural abundance	200 nM
56	sodium phosphate	natural abundance	34.25 mM
57	potassium phosphate	natural abundance	15.75 mM
58	bacteriophage Pf1 strain LP11-92	natural abundance	12 mg/mL
59	H2O	natural abundance	90 %
60	D2O	natural abundance	10 %

Protein Blocks Logo

Calculated from 32 models in PDB: 2LEH, Strand ID: A, B Detail

Release date

2012-06-04

Citation

Solution structure of the core SMN-Gemin2 complex
Sarachan, K.L., Valentine, K.G., Gupta, K., Moorman, V.R., Gledhill Jr, J.M., Bernens, M., Tommos, C., Wand, A., Van Duyne, G.D.
Biochem. J. (2012), 445, 361-370, PubMed 22607171 , DOI 10.1042/BJ20120241 , Abstract

Related entities 1. gemin2, : 1 : 3 : 10 entities Detail

Related entities 2. smn, : 1 : 13 : 1 : 5 entities Detail

Interaction partners 1. gemin2, : 31 : 1 interactors Detail

More details for 32 interactors identified by 13 citations

Interaction partners 2. smn, : 160 : 1 interactors Detail

More details for 161 interactors identified by 40 citations

Experiments performed 20 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
2	smn	[U-99% 13C; U-99% 15N]	1.0 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	50 mM
5	EDTA	natural abundance	50 uM
6	sodium azide	natural abundance	200 nM
7	sodium phosphate	natural abundance	34.25 mM
8	potassium phosphate	natural abundance	15.75 mM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

2 3D HNCA

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
2	smn	[U-99% 13C; U-99% 15N]	1.0 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	50 mM
5	EDTA	natural abundance	50 uM
6	sodium azide	natural abundance	200 nM
7	sodium phosphate	natural abundance	34.25 mM
8	potassium phosphate	natural abundance	15.75 mM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

3 3D HN(CO)CA

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
2	smn	[U-99% 13C; U-99% 15N]	1.0 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	50 mM
5	EDTA	natural abundance	50 uM
6	sodium azide	natural abundance	200 nM
7	sodium phosphate	natural abundance	34.25 mM
8	potassium phosphate	natural abundance	15.75 mM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

4 3D HNCACB

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
2	smn	[U-99% 13C; U-99% 15N]	1.0 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	50 mM
5	EDTA	natural abundance	50 uM
6	sodium azide	natural abundance	200 nM
7	sodium phosphate	natural abundance	34.25 mM
8	potassium phosphate	natural abundance	15.75 mM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

5 3D CBCA(CO)NH

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
2	smn	[U-99% 13C; U-99% 15N]	1.0 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	50 mM
5	EDTA	natural abundance	50 uM
6	sodium azide	natural abundance	200 nM
7	sodium phosphate	natural abundance	34.25 mM
8	potassium phosphate	natural abundance	15.75 mM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

6 3D HN(CA)CO

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
2	smn	[U-99% 13C; U-99% 15N]	1.0 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	50 mM
5	EDTA	natural abundance	50 uM
6	sodium azide	natural abundance	200 nM
7	sodium phosphate	natural abundance	34.25 mM
8	potassium phosphate	natural abundance	15.75 mM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

7 3D HNCO

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
2	smn	[U-99% 13C; U-99% 15N]	1.0 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	50 mM
5	EDTA	natural abundance	50 uM
6	sodium azide	natural abundance	200 nM
7	sodium phosphate	natural abundance	34.25 mM
8	potassium phosphate	natural abundance	15.75 mM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

8 3D H(CCO)NH

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
2	smn	[U-99% 13C; U-99% 15N]	1.0 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	50 mM
5	EDTA	natural abundance	50 uM
6	sodium azide	natural abundance	200 nM
7	sodium phosphate	natural abundance	34.25 mM
8	potassium phosphate	natural abundance	15.75 mM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

9 3D HCCH-TOCSY

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
2	smn	[U-99% 13C; U-99% 15N]	1.0 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	50 mM
5	EDTA	natural abundance	50 uM
6	sodium azide	natural abundance	200 nM
7	sodium phosphate	natural abundance	34.25 mM
8	potassium phosphate	natural abundance	15.75 mM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

10 3D 1H-15N NOESY

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
2	smn	[U-99% 13C; U-99% 15N]	1.0 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	50 mM
5	EDTA	natural abundance	50 uM
6	sodium azide	natural abundance	200 nM
7	sodium phosphate	natural abundance	34.25 mM
8	potassium phosphate	natural abundance	15.75 mM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

11 3D 1H-13C NOESY

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
2	smn	[U-99% 13C; U-99% 15N]	1.0 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	50 mM
5	EDTA	natural abundance	50 uM
6	sodium azide	natural abundance	200 nM
7	sodium phosphate	natural abundance	34.25 mM
8	potassium phosphate	natural abundance	15.75 mM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

12 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
11	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
12	smn	[U-99% 13C; U-99% 15N]	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	DTT	[U-98% 2H]	50 mM
15	EDTA	natural abundance	50 uM
16	sodium azide	natural abundance	200 nM
17	sodium phosphate	natural abundance	34.25 mM
18	potassium phosphate	natural abundance	15.75 mM
19	D2O	natural abundance	100 %

13 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
11	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
12	smn	[U-99% 13C; U-99% 15N]	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	DTT	[U-98% 2H]	50 mM
15	EDTA	natural abundance	50 uM
16	sodium azide	natural abundance	200 nM
17	sodium phosphate	natural abundance	34.25 mM
18	potassium phosphate	natural abundance	15.75 mM
19	D2O	natural abundance	100 %

14 3D HCCH-TOCSY aromatic

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
2	smn	[U-99% 13C; U-99% 15N]	1.0 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	50 mM
5	EDTA	natural abundance	50 uM
6	sodium azide	natural abundance	200 nM
7	sodium phosphate	natural abundance	34.25 mM
8	potassium phosphate	natural abundance	15.75 mM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

15 2D 1H-15N HSQC

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
30	gemin2	[U-98% 15N]-Leu	1.0 mM
31	smn	natural abundance	1.0 mM
32	sodium chloride	natural abundance	50 mM
33	DTT	natural abundance	50 mM
34	EDTA	natural abundance	50 uM
35	sodium azide	natural abundance	200 nM
36	sodium phosphate	natural abundance	34.25 mM
37	potassium phosphate	natural abundance	15.75 mM
38	H2O	natural abundance	95 %
39	D2O	natural abundance	5 %

16 2D 1H-15N HSQC

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
40	gemin2	natural abundance	1.0 mM
41	smn	[U-99% 15N]	1.0 mM
42	sodium chloride	natural abundance	50 mM
43	DTT	natural abundance	50 mM
44	EDTA	natural abundance	50 uM
45	sodium azide	natural abundance	200 nM
46	sodium phosphate	natural abundance	34.25 mM
47	potassium phosphate	natural abundance	15.75 mM
48	H2O	natural abundance	95 %
49	D2O	natural abundance	5 %

17 2D 1H-13C HSQC

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
20	gemin2	[U-10% 13C; U-99% 15N]	1.0 mM
21	smn	[U-10% 13C; U-99% 15N]	1.0 mM
22	sodium chloride	natural abundance	50 mM
23	DTT	natural abundance	50 mM
24	EDTA	natural abundance	50 uM
25	sodium azide	natural abundance	200 nM
26	sodium phosphate	natural abundance	34.25 mM
27	potassium phosphate	natural abundance	15.75 mM
28	H2O	natural abundance	95 %
29	D2O	natural abundance	5 %

18 4D HNCH-NOESY-HSQC

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
2	smn	[U-99% 13C; U-99% 15N]	1.0 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	50 mM
5	EDTA	natural abundance	50 uM
6	sodium azide	natural abundance	200 nM
7	sodium phosphate	natural abundance	34.25 mM
8	potassium phosphate	natural abundance	15.75 mM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

19 4D HCCH-NOESY-HMQC

Instrument

Bruker Avance - 750 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
11	gemin2	[U-99% 13C; U-99% 15N]	1.0 mM
12	smn	[U-99% 13C; U-99% 15N]	1.0 mM
13	sodium chloride	natural abundance	50 mM
14	DTT	[U-98% 2H]	50 mM
15	EDTA	natural abundance	50 uM
16	sodium azide	natural abundance	200 nM
17	sodium phosphate	natural abundance	34.25 mM
18	potassium phosphate	natural abundance	15.75 mM
19	D2O	natural abundance	100 %

20 2D 1H-15N HSQC IPAP

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 6.5

#	Name	Isotope labeling	Concentration
50	gemin2	[U-99% 15N]	1.0 mM
51	smn	[U-99% 15N]	1.0 mM
52	sodium chloride	natural abundance	50 mM
53	DTT	natural abundance	50 mM
54	EDTA	natural abundance	50 uM
55	sodium azide	natural abundance	200 nM
56	sodium phosphate	natural abundance	34.25 mM
57	potassium phosphate	natural abundance	15.75 mM
58	bacteriophage Pf1 strain LP11-92	natural abundance	12 mg/mL
59	H2O	natural abundance	90 %
60	D2O	natural abundance	10 %

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_17711_2leh.nef
Input source #2: Coordindates	2leh.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

---100-------110-------120-------130-------140-------150-------160-------170-------180-------190----
GYSPTLQWQQQQVAQFSTVRQNVNKHRSHWKSQQLDSNVTMPKSEDEEGWKKFCLGEKLCADGAVGPATNESPGIDYVQIGFPPLLSIVSRMNQATVTSV
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GYSPTLQWQQQQVAQFSTVRQNVNKHRSHWKSQQLDSNVTMPKSEDEEGWKKFCLGEKLCADGAVGPATNESPGIDYVQIGFPPLLSIVSRMNQATVTSV
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

---200-------210-------220-------230-------240-------250-------260-------270-------280---
LEYLSNWFGERDFTPELGRWLYALLACLEKPLLPEAHSLIRQLARRCSEVRLLVDSKDDERVPALNLLICLVSRYFDQRDLADEPSLEY
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LEYLSNWFGERDFTPELGRWLYALLACLEKPLLPEAHSLIRQLARRCSEVRLLVDSKDDERVPALNLLICLVSRYFDQRDLADEPSLEY
-------110-------120-------130-------140-------150-------160-------170-------180---------

Entity_assembly_ID (NMR): B vs Auth_asym_ID (model): B

---30--------40--------50-
GQSDDSDIWDDTALIKAYDKAVASFK
||||||||||||||||||||||||||
GQSDDSDIWDDTALIKAYDKAVASFK
--------10--------20------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	189	0	0	100.0
B	B	26	0	0	100.0

Content subtype: combined_17711_2leh.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	2298		100.0 (chain: A, length: 189), 96.2 (chain: B, length: 26)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	Warning	4951 (1)	noe	100.0 (chain: A, length: 189), 96.2 (chain: B, length: 26)
2	Distance restraints	CNS/XPLOR_distance_constraints_5	Warning	55 (1)	hbond	37.6 (chain: A, length: 189), 38.5 (chain: B, length: 26)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	273 (273)	.	85.2 (chain: A, length: 189), 69.2 (chain: B, length: 26)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_2	OK	84 (84)	.	37.6 (chain: A, length: 189), 38.5 (chain: B, length: 26)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 189, Sequence coverage: 100.0%
  - Entity_assembly_ID: B, Chain length: 26, Sequence coverage: 96.2%
- Total number of assignments
  - ¹H chemical shifts: 1183
  - ¹³C chemical shifts: 909
  - ¹⁵N chemical shifts: 206
- Completeness of assignments
  - Entity_assemble_ID: A
  - Entity_assemble_ID: B
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A
  - Chain_ID: B

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1170	1044	89.2
¹³C chemical shifts	867	801	92.4
¹⁵N chemical shifts	215	181	84.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	376	366	97.3
¹³C chemical shifts	378	364	96.3
¹⁵N chemical shifts	178	174	97.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	794	678	85.4
¹³C chemical shifts	489	437	89.4
¹⁵N chemical shifts	37	7	18.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	106	106	100.0
¹³C chemical shifts	106	106	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	90	65	72.2
¹³C chemical shifts	85	54	63.5
¹⁵N chemical shifts	5	5	100.0

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
43	TYR	HH	9.4152

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	146	138	94.5
¹³C chemical shifts	113	108	95.6
¹⁵N chemical shifts	28	25	89.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	53	47	88.7
¹³C chemical shifts	52	48	92.3
¹⁵N chemical shifts	26	23	88.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	93	91	97.8
¹³C chemical shifts	61	60	98.4
¹⁵N chemical shifts	2	2	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	13	13	100.0
¹³C chemical shifts	13	13	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	15	15	100.0
¹³C chemical shifts	14	14	100.0
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 189, Sequence coverage: 100.0%
  - Entity_assembly_ID: B, Chain length: 26, Sequence coverage: 96.2%
- Total number of restraints: 4862
- Weight of restraints: 1.0 (4862)
- Potential type of restraints: square-well-parabolic (4862)
- Range of distance target values: 2.35, 3.85 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_5
  - Status: Warning
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 189, Sequence coverage: 37.6%
    - Entity_assembly_ID: B, Chain length: 26, Sequence coverage: 38.5%
  - Total number of restraints: 55
  - Weight of restraints: 1.0 (55)
  - Potential type of restraints: square-well-parabolic (55)
  - Range of distance target values: 3.0, 3.0 (Å)
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 189, Sequence coverage: 85.2%
  - Entity_assembly_ID: B, Chain length: 26, Sequence coverage: 69.2%
- Total number of restraints: 273
- Total number of restraints per polymer type: 273
- Weight of restraints: 1.0 (273)
- Potential type of restraints: square-well-parabolic (273)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A
  - Chain_ID: B

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 189, Sequence coverage: 37.6%
  - Entity_assembly_ID: B, Chain length: 26, Sequence coverage: 38.5%
- Total number of restraints: 84
- Potential type of restraints: undefined (84)
- Range of observed RDC values: 100.0, -100.0 (Hz)
- RDC restraints per residue

Keywords Gemin2, SMN, snRNP assembly, Spinal Muscular Atrophy

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Found 1 Document (4.627 seconds)

BMRB: 17711

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Related entities 1. gemin2, : 1 : 3 : 10 entities Detail

Related entities 2. smn, : 1 : 13 : 1 : 5 entities Detail

Interaction partners 1. gemin2, : 31 : 1 interactors Detail

Interaction partners 2. smn, : 160 : 1 interactors Detail

Experiments performed 20 experiments Detail

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NMR combined restraints 6 contents Detail