BMRBj - BMREntryMaster

Found 1 Document (1.989 seconds)

BMRB: 15505

3ICH

CypB

Authors

Landrieu, I.

Assembly

CypB

Entity

1. CypB (polymer, Thiol state: all free), 184 monomers, 20360.09 Da Detail

ADEKKKGPKV TVKVYFDLRI GDEDVGRVIF GLFGKTVPKT VDNFVALATG EKGFGYKNSK FHRVIKDFMI QGGDFTRGDG TGGKSIYGER FPDENFKLKH YGPGWVSMAN AGKDTNGSQF FITTVKTAWL DGKHVVFGKV LEGMEVVRKV ESTKTDSRDK PLKDVIIADC GKIEVEKPFA IAKE

Formula weight

20360.09 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.5 %, Completeness: 45.0 %, Completeness (bb): 81.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	45.0 % (975 of 2169)	22.3 % (252 of 1130)	64.3 % (548 of 852)	93.6 % (175 of 187)
Backbone	81.7 % (892 of 1092)	51.4 % (198 of 385)	98.1 % (519 of 529)	98.3 % (175 of 178)
Sidechain	19.5 % (242 of 1238)	7.2 % (54 of 745)	38.8 % (188 of 484)	0.0 % (0 of 9)
Aromatic	4.8 % (10 of 208)	4.8 % (5 of 104)	4.9 % (5 of 102)	0.0 % (0 of 2)
Methyl	17.2 % (32 of 186)	12.9 % (12 of 93)	21.5 % (20 of 93)

1. CypB

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.3, Details 50mM NaH2PO4/Na2HPO4 pH 6.3, 40mM NaCl, 1mM EDTA, 1mM DTT

#	Name	Isotope labeling	Concentration
1	CypB	[U-99% 15N]	0.5 mM
2	NaH2PO4/Na2HPO4		50 mM
3	NaCl		40 mM
4	EDTA		1 mM
5	DTT		1 mM
6	H2O		95 %
7	D2O		5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.3, Details 50mM NaH2PO4/Na2HPO4 pH 6.3, 40mM NaCl, 1mM EDTA, 1mM DTT

#	Name	Isotope labeling	Concentration
8	CypB	[U-98% 13C; U-98% 15N]	0.5 mM
9	NaH2PO4/Na2HPO4		50 mM
10	NaCl		40 mM
11	EDTA		1 mM
12	DTT		1 mM
13	H2O		95 %
14	D2O		5 %

Sample #3

Pressure 1 atm, Temperature 293 K, pH 6.3, Details 50mM NaH2PO4/Na2HPO4 pH 6.3, 40mM NaCl, 1mM EDTA, 1mM DTT

#	Name	Isotope labeling	Concentration
15	CypB	[U-15N, U-2H]	0.3 mM
16	NaH2PO4/Na2HPO4		50 mM
17	NaCl		40 mM
18	EDTA		1 mM
19	DTT		1 mM
20	H2O		95 %
21	D2O		5 %

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.3, Details 50mM NaH2PO4/Na2HPO4 pH 6.3, 40mM NaCl, 1mM EDTA, 1mM DTT

#	Name	Isotope labeling	Concentration
22	CypB	[U-15N; U-2H]	0.3 mM
23	NaH2PO4/Na2HPO4		50 mM
24	NaCl		40 mM
25	EDTA		1 mM
26	DTT		1 mM
27	D2O		100 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹⁵C	TSP	methyl protons	null	indirect	0.1013291
¹H	TSP	methyl protons	internal	direct	1.0
¹³N	TSP	methyl protons	null	indirect	0.2514495

Referencing offset: 0.35 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹⁵C	TSP	methyl protons	null	indirect	0.1013291
¹H	TSP	methyl protons	internal	direct	1.0
¹³N	TSP	methyl protons	null	indirect	0.2514495

Referencing offset: 0.35 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹⁵C	TSP	methyl protons	null	indirect	0.1013291
¹H	TSP	methyl protons	internal	direct	1.0
¹³N	TSP	methyl protons	null	indirect	0.2514495

Referencing offset: 0.31 ppm, Outliers: 1 Detail

Release date

2008-06-25

Citation

Structural and functional characterization of the interaction between cyclophilin B and a heparin-derived oligosaccharide
Hanoulle, X., Melchior, A., Sibille, N., Parent, B., Denys, A., Wieruszeski, J., Horvath, D., Allain, F., Lippens, G., Landrieu, I.
J. Biol. Chem. (2007), 282, 34148-34158, PubMed 17855358 , DOI 10.1074/jbc.M706353200 , Abstract

Related entities 1. CypB, : 1 : 2 : 1 : 1 : 307 entities Detail

Interaction partners 1. CypB, : 41 interactors Detail

More details for 41 interactors identified by 19 citations

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.3, Details 50mM NaH2PO4/Na2HPO4 pH 6.3, 40mM NaCl, 1mM EDTA, 1mM DTT

#	Name	Isotope labeling	Concentration
1	CypB	[U-99% 15N]	0.5 mM
2	NaH2PO4/Na2HPO4		50 mM
3	NaCl		40 mM
4	EDTA		1 mM
5	DTT		1 mM
6	H2O		95 %
7	D2O		5 %

2 2D 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.3, Details 50mM NaH2PO4/Na2HPO4 pH 6.3, 40mM NaCl, 1mM EDTA, 1mM DTT

#	Name	Isotope labeling	Concentration
8	CypB	[U-98% 13C; U-98% 15N]	0.5 mM
9	NaH2PO4/Na2HPO4		50 mM
10	NaCl		40 mM
11	EDTA		1 mM
12	DTT		1 mM
13	H2O		95 %
14	D2O		5 %

3 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 6.3, Details 50mM NaH2PO4/Na2HPO4 pH 6.3, 40mM NaCl, 1mM EDTA, 1mM DTT

#	Name	Isotope labeling	Concentration
8	CypB	[U-98% 13C; U-98% 15N]	0.5 mM
9	NaH2PO4/Na2HPO4		50 mM
10	NaCl		40 mM
11	EDTA		1 mM
12	DTT		1 mM
13	H2O		95 %
14	D2O		5 %

4 3D CBCA(CO)NH

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 293 K, pH 6.3, Details 50mM NaH2PO4/Na2HPO4 pH 6.3, 40mM NaCl, 1mM EDTA, 1mM DTT

#	Name	Isotope labeling	Concentration
15	CypB	[U-15N, U-2H]	0.3 mM
16	NaH2PO4/Na2HPO4		50 mM
17	NaCl		40 mM
18	EDTA		1 mM
19	DTT		1 mM
20	H2O		95 %
21	D2O		5 %

5 3D HNCO

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 293 K, pH 6.3, Details 50mM NaH2PO4/Na2HPO4 pH 6.3, 40mM NaCl, 1mM EDTA, 1mM DTT

#	Name	Isotope labeling	Concentration
15	CypB	[U-15N, U-2H]	0.3 mM
16	NaH2PO4/Na2HPO4		50 mM
17	NaCl		40 mM
18	EDTA		1 mM
19	DTT		1 mM
20	H2O		95 %
21	D2O		5 %

6 3D HNCA

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 293 K, pH 6.3, Details 50mM NaH2PO4/Na2HPO4 pH 6.3, 40mM NaCl, 1mM EDTA, 1mM DTT

#	Name	Isotope labeling	Concentration
15	CypB	[U-15N, U-2H]	0.3 mM
16	NaH2PO4/Na2HPO4		50 mM
17	NaCl		40 mM
18	EDTA		1 mM
19	DTT		1 mM
20	H2O		95 %
21	D2O		5 %

7 3D HNCACB

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 293 K, pH 6.3, Details 50mM NaH2PO4/Na2HPO4 pH 6.3, 40mM NaCl, 1mM EDTA, 1mM DTT

#	Name	Isotope labeling	Concentration
15	CypB	[U-15N, U-2H]	0.3 mM
16	NaH2PO4/Na2HPO4		50 mM
17	NaCl		40 mM
18	EDTA		1 mM
19	DTT		1 mM
20	H2O		95 %
21	D2O		5 %

8 2D 1H-1H TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.3, Details 50mM NaH2PO4/Na2HPO4 pH 6.3, 40mM NaCl, 1mM EDTA, 1mM DTT

#	Name	Isotope labeling	Concentration
22	CypB	[U-15N; U-2H]	0.3 mM
23	NaH2PO4/Na2HPO4		50 mM
24	NaCl		40 mM
25	EDTA		1 mM
26	DTT		1 mM
27	D2O		100 %

9 2D 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.3, Details 50mM NaH2PO4/Na2HPO4 pH 6.3, 40mM NaCl, 1mM EDTA, 1mM DTT

#	Name	Isotope labeling	Concentration
22	CypB	[U-15N; U-2H]	0.3 mM
23	NaH2PO4/Na2HPO4		50 mM
24	NaCl		40 mM
25	EDTA		1 mM
26	DTT		1 mM
27	D2O		100 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15505_3.str
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

Content subtype: bmr15505_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	866		99.5 (chain: 1, length: 184)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 184, Sequence coverage: 99.5%
- Total number of assignments
  - ¹³C chemical shifts: 516
  - ¹H chemical shifts: 175
  - ¹⁵N chemical shifts: 175
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	852	516	60.6
¹H chemical shifts	1130	175	15.5
¹⁵N chemical shifts	194	175	90.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	368	357	97.0
¹H chemical shifts	385	175	45.5
¹⁵N chemical shifts	178	175	98.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	484	159	32.9
¹H chemical shifts	745	0	0.0
¹⁵N chemical shifts	16	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	96	8	8.3
¹H chemical shifts	96	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	102	0	0.0
¹H chemical shifts	104	0	0.0
¹⁵N chemical shifts	2	0	0.0

Keywords CD147, Cyclophilin, Heparan Sulfate, Prolyl cis/trans isomerase

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Found 1 Document (1.989 seconds)

BMRB: 15505

Sample #1

Sample #2

Sample #3

Sample #4

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. CypB, : 1 : 2 : 1 : 1 : 307 entities Detail

Interaction partners 1. CypB, : 41 interactors Detail

Experiments performed 9 experiments Detail

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Chemical shift validation 3 contents Detail