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Found 1 Document (1.337 seconds)

BMRB: 17710

2LEG

Membrane protein complex DsbB-DsbA structure by joint calculations with solid-state NMR and X-ray experimental data

Authors

Tang, M., Sperling, L.J., Berthold, D.A., Schwieters, C.D., Nesbitt, A.E., Nieuwkoop, A.J., Gennis, R.B., Rienstra, C.M.

Assembly

DsbA and DsbB

Entity

1. DsbA (polymer), 188 monomers, 21003.63 Da Detail

AQYEDGKQYT TLEKPVAGAP QVLEFFSFFC PHCYQFEEVL HISDNVKKKL PEGVKMTKYH VNFMGGDLGK DLTQAWAVAM ALGVEDKVTV PLFEGVQKTQ TIRSASDIRD VFINAGIKGE EYDAAWNSFV VKSLVAQQEK AAADVQLRGV PAMFVNGKYQ LNPQGMDTSN MDVFVQQYAD TVKYLSEK

2. DsbB (polymer), 176 monomers, 20089.81 Da Detail

MLRFLNQASQ GRGAWLLMAF TALALELTAL WFQHVMLLKP SVLCIYERVA LFGVLGAALI GAIAPKTPLR YVAMVIWLYS AFRGVQLTYE HTMLQLYPSP FATCDFMVRF PEWLPLDKWV PQVFVASGDC AERQWDFLGL EMPQWLLGIF IAYLIVAVLV VISQPFKAKK RDLFGR

3. ZN (non-polymer), 65.409 Da
4. UQ8 (non-polymer), 727.109 Da

Total weight

41885.96 Da

Max. entity weight

21003.63 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS30:SG	1:CYS33:SG
2	disulfide	sing	2:CYS104:SG	2:CYS130:SG

Source organism

Escherichia coli

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.8 %, Completeness: 40.1 %, Completeness (bb): 60.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	40.1 % (1755 of 4382)	12.7 % (286 of 2258)	68.2 % (1185 of 1737)	73.4 % (284 of 387)
Backbone	60.9 % (1310 of 2150)	21.4 % (157 of 734)	81.5 % (871 of 1069)	81.3 % (282 of 347)
Sidechain	28.0 % (720 of 2573)	8.5 % (130 of 1524)	58.3 % (588 of 1009)	5.0 % (2 of 40)
Aromatic	11.0 % (53 of 480)	6.7 % (16 of 240)	15.2 % (35 of 231)	22.2 % (2 of 9)
Methyl	48.3 % (221 of 458)	11.8 % (27 of 229)	84.7 % (194 of 229)

1. DsbA

2. DsbB

MLRFLNQASQ GRGAWLLMAF TALALELTAL WFQHVMLLKP SVLCIYERVA LFGVLGAALI GAIAPKTPLR YVAMVIWLYS AFRGVQLTYE HTMLQLYPSP FATCDFMVRF PEWLPLDKWV PQVFVASGDC AERQWDFLGL EMPQWLLGIF IAYLIVAVLV VISQPFKAKK RDLFGR

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 270 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	DsbA	[U-100% 13C; U-100% 15N]	15 mg
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 270 K, pH 7.0

#	Name	Isotope labeling	Concentration
4	DsbA	[2-13C-glycerol; U-15N]	10 mg
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 270 K, pH 7.0

#	Name	Isotope labeling	Concentration
7	DsbA	[1,3-13C-glycerol; U-15N]	10 mg
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 270 K, pH 7.0

#	Name	Isotope labeling	Concentration
10	DsbB	[U-100% 13C; U-100% 15N]	7 mg
11	DDM	natural abundance	2 mg
12	E. coli lipids	natural abundance	7 mg
13	H2O	natural abundance	90 %
14	D2O	natural abundance	10 %

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 270 K, pH 7.0

#	Name	Isotope labeling	Concentration
15	DsbB	[2-13C-glycerol; U-15N]	5 mg
16	DDM	natural abundance	2 mg
17	E. coli lipids	natural abundance	7 mg
18	H2O	natural abundance	90 %
19	D2O	natural abundance	10 %

Sample #6

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 270 K, pH 7.0

#	Name	Isotope labeling	Concentration
20	DsbB	[1,3-13C-glycerol; U-15N]	4 mg
21	DDM	natural abundance	2 mg
22	E. coli lipids	natural abundance	7 mg
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	alkane carbons	40.48 ppm	external	direct	1.0
¹⁵N	DSS	alkane carbons	40.48 ppm	external	indirect	0.4029799

Referencing offset: -0.14 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	alkane carbons	40.48 ppm	external	direct	1.0
¹⁵N	DSS	alkane carbons	40.48 ppm	external	indirect	0.4029799

Referencing offset: -0.14 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	alkane carbons	40.48 ppm	external	direct	1.0
¹⁵N	DSS	alkane carbons	40.48 ppm	external	indirect	0.4029799

Referencing offset: -0.69 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2LEG, Strand ID: A, B Detail

Release date

2011-10-11

Citation

High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data
Tang, M., Sperling, L.J., Berthold, D.A., Schwieters, C.D., Nesbitt, A.E., Nieuwkoop, A.J., Gennis, R.B., Rienstra, C.M.
J. Biomol. NMR (2011), 51, 227-233, PubMed 21938394 , DOI 10.1007/s10858-011-9565-6 , Abstract

Related entities 1. DsbA, : 1 entities Detail

Related entities 2. DsbB, : 1 : 2 : 7 : 66 entities Detail

Interaction partners 2. DsbB, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 17 experiments Detail

1 2D CC DARR

Instrument

Varian INOVA - 750 MHz

Sample

State solid, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 270 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	DsbA	[U-100% 13C; U-100% 15N]	15 mg
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

2 2D CC DARR

Instrument

Varian INOVA - 750 MHz

Sample

State solid, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 270 K, pH 7.0

#	Name	Isotope labeling	Concentration
4	DsbA	[2-13C-glycerol; U-15N]	10 mg
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

3 2D CC DARR

Instrument

Varian INOVA - 750 MHz

Sample

State solid, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 270 K, pH 7.0

#	Name	Isotope labeling	Concentration
7	DsbA	[1,3-13C-glycerol; U-15N]	10 mg
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

4 2D CC DARR

Instrument

Varian INOVA - 750 MHz

Sample

State solid, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 261 K, pH 7.8

#	Name	Isotope labeling	Concentration
10	DsbB	[U-100% 13C; U-100% 15N]	7 mg
11	DDM	natural abundance	2 mg
12	E. coli lipids	natural abundance	7 mg
13	H2O	natural abundance	90 %
14	D2O	natural abundance	10 %

5 2D CC DARR

Instrument

Varian INOVA - 750 MHz

Sample

State solid, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 261 K, pH 7.8

#	Name	Isotope labeling	Concentration
15	DsbB	[2-13C-glycerol; U-15N]	5 mg
16	DDM	natural abundance	2 mg
17	E. coli lipids	natural abundance	7 mg
18	H2O	natural abundance	90 %
19	D2O	natural abundance	10 %

6 2D CC DARR

Instrument

Varian INOVA - 750 MHz

Sample

State solid, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 261 K, pH 7.8

#	Name	Isotope labeling	Concentration
20	DsbB	[1,3-13C-glycerol; U-15N]	4 mg
21	DDM	natural abundance	2 mg
22	E. coli lipids	natural abundance	7 mg
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

7 3D NCACX

Instrument

Varian INOVA - 750 MHz

Sample

State solid, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 270 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	DsbA	[U-100% 13C; U-100% 15N]	15 mg
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

8 3D NCACX

Instrument

Varian INOVA - 750 MHz

Sample

State solid, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 270 K, pH 7.0

#	Name	Isotope labeling	Concentration
4	DsbA	[2-13C-glycerol; U-15N]	10 mg
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

9 3D NCACX

Instrument

Varian VXRS - 500 MHz

Sample

State solid, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 261 K, pH 7.8

#	Name	Isotope labeling	Concentration
10	DsbB	[U-100% 13C; U-100% 15N]	7 mg
11	DDM	natural abundance	2 mg
12	E. coli lipids	natural abundance	7 mg
13	H2O	natural abundance	90 %
14	D2O	natural abundance	10 %

10 3D NCOCX

Instrument

Varian INOVA - 750 MHz

Sample

State solid, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 270 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	DsbA	[U-100% 13C; U-100% 15N]	15 mg
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

11 3D NCOCX

Instrument

Varian INOVA - 750 MHz

Sample

State solid, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 270 K, pH 7.0

#	Name	Isotope labeling	Concentration
7	DsbA	[1,3-13C-glycerol; U-15N]	10 mg
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

12 3D NCOCX

Instrument

Varian VXRS - 500 MHz

Sample

State solid, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 261 K, pH 7.8

#	Name	Isotope labeling	Concentration
10	DsbB	[U-100% 13C; U-100% 15N]	7 mg
11	DDM	natural abundance	2 mg
12	E. coli lipids	natural abundance	7 mg
13	H2O	natural abundance	90 %
14	D2O	natural abundance	10 %

13 3D CAN(CO)CX

Instrument

Varian INOVA - 750 MHz

Sample

State solid, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 270 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	DsbA	[U-100% 13C; U-100% 15N]	15 mg
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

14 3D CAN(CO)CX

Instrument

Varian INOVA - 750 MHz

Sample

State solid, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 261 K, pH 7.8

#	Name	Isotope labeling	Concentration
10	DsbB	[U-100% 13C; U-100% 15N]	7 mg
11	DDM	natural abundance	2 mg
12	E. coli lipids	natural abundance	7 mg
13	H2O	natural abundance	90 %
14	D2O	natural abundance	10 %

15 3D CON(CA)CX

Instrument

Varian INOVA - 750 MHz

Sample

State solid, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 261 K, pH 7.8

#	Name	Isotope labeling	Concentration
10	DsbB	[U-100% 13C; U-100% 15N]	7 mg
11	DDM	natural abundance	2 mg
12	E. coli lipids	natural abundance	7 mg
13	H2O	natural abundance	90 %
14	D2O	natural abundance	10 %

16 4D CANCOCX

Instrument

Varian INOVA - 750 MHz

Sample

State solid, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 270 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	DsbA	[U-100% 13C; U-100% 15N]	15 mg
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

17 2D NC TEDOR

Instrument

Varian INOVA - 750 MHz

Sample

State solid, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 270 K, pH 7.0

#	Name	Isotope labeling	Concentration
7	DsbA	[1,3-13C-glycerol; U-15N]	10 mg
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_17710_2leg.nef
Input source #2: Coordindates	2leg.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Error

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
A:30:CYS:SG	B:104:CYS:SG	unknown	unknown	2.034
B:41:CYS:SG	B:44:CYS:SG	unknown	unknown	2.009

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

None

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
C	1	UQ1	UBIQUINONE-1	None
C	501	UQ8	Ubiquinone-8	Assigned chemical shifts
D	1	ZN	ZINC ION	None

Sequence alignments

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

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHAYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQ
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHAYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQ

-------110-------120-------130-------140-------150-------160-------170-------180---------
TIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEKK
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
TIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEKK

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

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MLRFLNQASQGRGAWLLMAFTALALELTALWFQHVMLLKPCVLCIYERVALFGVLGAALIGAIAPKTPLRYVAMVIWLYSAFRGVQLTYEHTMLQLYPSP
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MLRFLNQASQGRGAWLLMAFTALALELTALWFQHVMLLKPCVLCIYERVALFGVLGAALIGAIAPKTPLRYVAMVIWLYSAFRGVQLTYEHTMLQLYPSP

-------110-------120-------130-------140-------150-------160-------170------
FATCDFMVRFPEWLPLDKWVPQVFVASGDSAERQWDFLGLEMPQWLLGIFIAYLIVAVLVVISQPFKAKKRDLFGR
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FATCDFMVRFPEWLPLDKWVPQVFVASGDSAERQWDFLGLEMPQWLLGIFIAYLIVAVLVVISQPFKAKKRDLFGR

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	189	0	0	100.0
B	B	176	0	0	100.0

Content subtype: combined_17710_2leg.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	2		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Error	1583		94.7 (chain: A, length: 189), 85.8 (chain: B, length: 176), 50.0 (chain: C, length: 2)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	136 (1)	undefined	51.7 (chain: B, length: 176)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	1403 (1)	undefined	72.7 (chain: B, length: 176)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	399 (399)	.	91.5 (chain: A, length: 189), 48.9 (chain: B, length: 176)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1

Status: Error

Sequence coverage of experimental data

Entity_assembly_ID: A, Chain length: 189, Sequence coverage: 94.7%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHAYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQ
 ||||||||||||||||||||||||||||||| ||||||||||  ||||||||| ||||||||||||||| ||||||||||||||||||||||||| |||
.QYEDGKQYTTLEKPVAGAPQVLEFFSFFCPH.YQFEEVLHIS..VKKKLPEGV.MTKYHVNFMGGDLGK.LTQAWAVAMALGVEDKVTVPLFEGV.KTQ
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

-------110-------120-------130-------140-------150-------160-------170-------180---------
TIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEKK
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||  
TIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNM.VFVQQYADTVKYLSE  
-------110-------120-------130-------140-------150-------160-------170-------180-------

Entity_assembly_ID: B, Chain length: 176, Sequence coverage: 85.8%
Entity_assembly_ID: C, Chain length: 2, Sequence coverage: 50.0%

--
XX
 |
.X
50

Total number of assignments
- ¹³C chemical shifts: 1228
- ¹⁵N chemical shifts: 288
- ¹H chemical shifts: 67

Completeness of assignments

Entity_assemble_ID: A

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
2	GLN	CD	177.162
5	ASP	CG	179.672
8	GLN	CD	179.655
9	TYR	CG	128.358
9	TYR	CZ	157.998
15	PRO	N	135.702
20	PRO	N	134.274
24	GLU	CD	179.469
25	PHE	CG	139.839
26	PHE	CG	136.412
28	PHE	CG	139.331
29	PHE	CG	139.902
31	PRO	N	133.968
35	GLN	CD	177.667
51	PRO	N	153.632
59	TYR	CG	129.61
60	HIS	CG	128.168
63	PHE	CG	138.209
67	ASP	CG	176.123
76	TRP	CD2	129.4
76	TRP	CE2	139.98
76	TRP	CG	111.253
85	GLU	CD	184.07
86	ASP	CG	179.655
91	PRO	N	133.847
93	PHE	CG	141.58
107	ASP	CG	179.861
109	ARG	CZ	159.732
110	ASP	CG	180.004
112	PHE	CG	142.354
114	ASN	CG	176.766
122	TYR	CG	127.07
123	ASP	CG	180.063
126	TRP	CD2	128.64
126	TRP	CE2	138.78
126	TRP	CG	109.519
127	ASN	CG	177.447
129	PHE	CG	137.401
144	ASP	CG	180.008
151	PRO	N	133.882
154	PHE	CG	139.75
156	ASN	CG	177.215
159	TYR	CG	128.798
162	ASN	CG	177.45
163	PRO	N	137.095
164	GLN	CD	173.858
167	ASP	CG	178.563
174	PHE	CG	138.883
178	TYR	CG	129.884
180	ASP	CG	179.486
184	TYR	CG	129.98

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	868	632	72.8
¹⁵N chemical shifts	208	156	75.0
¹H chemical shifts	1152	0	0.0

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	378	337	89.2
¹⁵N chemical shifts	182	154	84.6
¹H chemical shifts	384	0	0.0

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	490	295	60.2
¹⁵N chemical shifts	26	2	7.7
¹H chemical shifts	768	0	0.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	109	82	75.2
¹H chemical shifts	109	0	0.0

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	103	23	22.3
¹⁵N chemical shifts	2	2	100.0
¹H chemical shifts	105	0	0.0

Entity_assemble_ID: C

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

Comp_index_ID	Comp_ID
1	UQ1
501	UQ8

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: OK
- Experiment type: undefined
- Sequence coverage of experimental data
  - Entity_assembly_ID: B, Chain length: 176, Sequence coverage: 51.7%
- Total number of restraints: 136
- Weight of restraints: 1.0 (136)
- Potential type of restraints: square-well-parabolic (136)
- Range of distance target values: 6.0, 6.0 (Å)
- Distance restraints per residue
  - Chain_ID: A
    None
  - Chain_ID: B
  - Chain_ID: C
    None
  - Chain_ID: D
    None
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: OK
  - Experiment type: undefined
  - Sequence coverage of experimental data
    - Entity_assembly_ID: B, Chain length: 176, Sequence coverage: 72.7%
  - Total number of restraints: 1389
  - Weight of restraints: 1.0 (1389)
  - Potential type of restraints: square-well-parabolic (1389)
  - Range of distance target values: 3.4, 4.9 (Å)
  - Histogram of distance target values
  - Histogram of discrepancy in distance target values
  - Distance restraints per residue
    - Chain_ID: A
      None
    - Chain_ID: B
    - Chain_ID: C
      None
    - Chain_ID: D
      None
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 189, Sequence coverage: 91.5%
  - Entity_assembly_ID: B, Chain length: 176, Sequence coverage: 48.9%
- Total number of restraints: 399
- Total number of restraints per polymer type: 399
- Weight of restraints: 1.0 (399)
- Potential type of restraints: square-well-parabolic (399)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords DsbB-DsbA, Joint calculations, Solid-state NMR, X-ray reflections

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Found 1 Document (1.337 seconds)

BMRB: 17710

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. DsbA, : 1 entities Detail

Related entities 2. DsbB, : 1 : 2 : 7 : 66 entities Detail

Interaction partners 2. DsbB, : 1 interactors Detail

Experiments performed 17 experiments Detail

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NMR combined restraints 5 contents Detail