BMRBj - BMREntryMaster

Found 1 Document (0.822 seconds)

BMRB: 34243

6FWN

Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor

Authors

Xu, E.R., von Buelow, S., Chen, P.C., Lenting, P.J., Kolsek, K., Aponte-Santamaria, C., Simon, B., Foot, J., Obser, T., Graeter, F., Schneppenheim, R., Denis, C.V., Wilmanns, M., Hennig, J.

Assembly

von Willebrand factor

Entity

1. von Willebrand factor (polymer, Thiol state: all disulfide bound), 85 monomers, 9115.261 Da Detail

GSMASACEVV TGSPRGDSQS SWKSVGSQWA SPENPCLINE CVRVKEEVFI QQRNVSCPQL EVPVCPSGFQ LSCKTSACCP SCRCE

Formula weight

9115.261 Da

Entity Connection

disulfide 5 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS7:SG	1:CYS41:SG
2	disulfide	sing	1:CYS36:SG	1:CYS78:SG
3	disulfide	sing	1:CYS57:SG	1:CYS79:SG
4	disulfide	sing	1:CYS65:SG	1:CYS84:SG
5	disulfide	sing	1:CYS73:SG	1:CYS82:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 98.8 %, Completeness: 91.8 %, Completeness (bb): 94.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.8 % (847 of 923)	92.1 % (445 of 483)	90.6 % (318 of 351)	94.4 % (84 of 89)
Backbone	94.2 % (467 of 496)	94.0 % (158 of 168)	94.4 % (236 of 250)	93.6 % (73 of 78)
Sidechain	90.7 % (460 of 507)	91.1 % (287 of 315)	89.5 % (162 of 181)	100.0 % (11 of 11)
Aromatic	79.5 % (35 of 44)	86.4 % (19 of 22)	70.0 % (14 of 20)	100.0 % (2 of 2)
Methyl	91.2 % (62 of 68)	100.0 % (34 of 34)	82.4 % (28 of 34)

1. entity 1

GSMASACEVV TGSPRGDSQS SWKSVGSQWA SPENPCLINE CVRVKEEVFI QQRNVSCPQL EVPVCPSGFQ LSCKTSACCP SCRCE

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 500 uM [U-13C; U-15N] von Willebrand Factor C4 domain, 20 mM sodium phosphate, 49.5 M H2O, 5.5 M D2O, 0.02 % w/v sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	49.5 M
4	D2O	natural abundance	5.5 M
5	sodium azide	natural abundance	0.02 % w/v

Sample #2

Solvent system 100% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 500 uM [U-13C; U-15N] von Willebrand Factor C4 domain, 20 mM sodium phosphate, 55 M D2O, 5 mM H2O, 0.02 % w/v sodium azide, 100% D2O

#	Name	Isotope labeling	Concentration
6	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
7	sodium phosphate	natural abundance	20 mM
8	H2O	natural abundance	5 mM
9	D2O	natural abundance	55 M
10	sodium azide	natural abundance	0.02 % w/v

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	external	direct	0.2514495
¹H	water	protons	4.773 ppm	external	direct	1.0
¹⁵N	water	protons	4.773 ppm	external	direct	0.0

Referencing offset: 0.17 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	external	direct	0.2514495
¹H	water	protons	4.773 ppm	external	direct	1.0
¹⁵N	water	protons	4.773 ppm	external	direct	0.0

Referencing offset: 0.17 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	external	direct	0.2514495
¹H	water	protons	4.773 ppm	external	direct	1.0
¹⁵N	water	protons	4.773 ppm	external	direct	0.0

Referencing offset: 0.01 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	external	direct	0.2514495
¹H	water	protons	4.773 ppm	external	direct	1.0
¹⁵N	water	protons	4.773 ppm	external	direct	0.0

Referencing offset: 0.57 ppm, Outliers: 1 Detail

Release date

2018-10-14

Citation

Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor
Xu, E.R., von Bulow, S., Chen, P.C., Lenting, P.J., Kolsek, K., Aponte-Santamaria, C., Simon, B., Foot, J., Obser, T., Schneppenheim, R., Grater, F., Denis, C.V., Wilmanns, M., Hennig, J.
Blood (2018), 133, 366-376, PubMed 30305279 , DOI 10.1182/blood-2018-04-843615 , Abstract

Related entities 1. von Willebrand factor, : 5 entities Detail

Interaction partners 1. von Willebrand factor, : 49 interactors Detail

More details for 49 interactors identified by 11 citations

Experiments performed 17 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 500 uM [U-13C; U-15N] von Willebrand Factor C4 domain, 20 mM sodium phosphate, 49.5 M H2O, 5.5 M D2O, 0.02 % w/v sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	49.5 M
4	D2O	natural abundance	5.5 M
5	sodium azide	natural abundance	0.02 % w/v

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	49.5 M
4	D2O	natural abundance	5.5 M
5	sodium azide	natural abundance	0.02 % w/v

3 2D 1H-13C HSQC aromatic

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	49.5 M
4	D2O	natural abundance	5.5 M
5	sodium azide	natural abundance	0.02 % w/v

4 2D 1H-13C HMQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	49.5 M
4	D2O	natural abundance	5.5 M
5	sodium azide	natural abundance	0.02 % w/v

5 3D HNCA

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	49.5 M
4	D2O	natural abundance	5.5 M
5	sodium azide	natural abundance	0.02 % w/v

6 3D HNCO

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	49.5 M
4	D2O	natural abundance	5.5 M
5	sodium azide	natural abundance	0.02 % w/v

7 3D C(CO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	49.5 M
4	D2O	natural abundance	5.5 M
5	sodium azide	natural abundance	0.02 % w/v

8 3D H(CCO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	49.5 M
4	D2O	natural abundance	5.5 M
5	sodium azide	natural abundance	0.02 % w/v

9 3D HBHA(CO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	49.5 M
4	D2O	natural abundance	5.5 M
5	sodium azide	natural abundance	0.02 % w/v

10 3D CBCA(CO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	49.5 M
4	D2O	natural abundance	5.5 M
5	sodium azide	natural abundance	0.02 % w/v

11 3D HNCACB

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	49.5 M
4	D2O	natural abundance	5.5 M
5	sodium azide	natural abundance	0.02 % w/v

12 3D HCCH-TOCSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	49.5 M
4	D2O	natural abundance	5.5 M
5	sodium azide	natural abundance	0.02 % w/v

13 3D 1H-13C NOESY-HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	49.5 M
4	D2O	natural abundance	5.5 M
5	sodium azide	natural abundance	0.02 % w/v

14 3D 1H-15N NOESY-HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	49.5 M
4	D2O	natural abundance	5.5 M
5	sodium azide	natural abundance	0.02 % w/v

15 3D HCCH-TOCSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	49.5 M
4	D2O	natural abundance	5.5 M
5	sodium azide	natural abundance	0.02 % w/v

16 3D 1H-13C HMQC-NOESY

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 500 uM [U-13C; U-15N] von Willebrand Factor C4 domain, 20 mM sodium phosphate, 55 M D2O, 5 mM H2O, 0.02 % w/v sodium azide, 100% D2O

#	Name	Isotope labeling	Concentration
6	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
7	sodium phosphate	natural abundance	20 mM
8	H2O	natural abundance	5 mM
9	D2O	natural abundance	55 M
10	sodium azide	natural abundance	0.02 % w/v

17 3D 1H-13C HMQC-NOESY aromatic

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
6	von Willebrand Factor C4 domain	[U-13C; U-15N]	500 uM
7	sodium phosphate	natural abundance	20 mM
8	H2O	natural abundance	5 mM
9	D2O	natural abundance	55 M
10	sodium azide	natural abundance	0.02 % w/v

nullKeywords BLOOD CLOTTING, vWC domain, von Willebrand Factor

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Found 1 Document (0.822 seconds)

BMRB: 34243

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. von Willebrand factor, : 5 entities Detail

Interaction partners 1. von Willebrand factor, : 49 interactors Detail

Experiments performed 17 experiments Detail

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