BMRB Entry 34243

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34243
MolProbity Validation Chart

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Title:
Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor
Deposition date:
2018-03-06
Original release date:
2018-10-19
Authors:
Xu, E.; von Buelow, S.; Chen, P.; Lenting, P.; Kolsek, K.; Aponte-Santamaria, C.; Simon, B.; Foot, J.; Obser, T.; Graeter, F.; Schneppenheim, R.; Denis, C.; Wilmanns, M.; Hennig, J.
Citation:

Citation: Xu, E.; von Bulow, S.; Chen, P.; Lenting, P.; Kolsek, K.; Aponte-Santamaria, C.; Simon, B.; Foot, J.; Obser, T.; Schneppenheim, R.; Grater, F.; Denis, C.; Wilmanns, M.; Hennig, J.. "Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor."  Blood 133, 366-376 (2019).
PubMed: 30305279

Assembly members:

Assembly members:
entity_1, polymer, 85 residues, 9122.324 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)   Vector: pHAT3

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSMASACEVVTGSPRGDSQS SWKSVGSQWASPENPCLINE CVRVKEEVFIQQRNVSCPQL EVPVCPSGFQLSCKTSACCP SCRCE

Data typeCount
13C chemical shifts318
15N chemical shifts84
1H chemical shifts514

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 85 residues - 9122.324 Da.

1   GLYSERMETALASERALACYSGLUVALVAL
2   THRGLYSERPROARGGLYASPSERGLNSER
3   SERTRPLYSSERVALGLYSERGLNTRPALA
4   SERPROGLUASNPROCYSLEUILEASNGLU
5   CYSVALARGVALLYSGLUGLUVALPHEILE
6   GLNGLNARGASNVALSERCYSPROGLNLEU
7   GLUVALPROVALCYSPROSERGLYPHEGLN
8   LEUSERCYSLYSTHRSERALACYSCYSPRO
9   SERCYSARGCYSGLU

Samples:

sample_1: von Willebrand Factor C4 domain, [U-13C; U-15N], 500 uM; sodium phosphate 20 mM; H2O 49.5 M; D2O 5.5 M; sodium azide 0.02 % w/v

sample_2: von Willebrand Factor C4 domain, [U-13C; U-15N], 500 uM; sodium phosphate 20 mM; H2O 5 mM; D2O 55 M; sodium azide 0.02 % w/v

sample_conditions_1: ionic strength: 0.04 M; pH: 6.5; pressure: 1 bar; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HMQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY-HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESY-HSQCsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C HMQC-NOESYsample_2isotropicsample_conditions_1
3D 1H-13C HMQC-NOESY aromaticsample_2isotropicsample_conditions_1

Software:

ARIA - refinement

CARA - structure solution

NMRPIPE - structure solution

TOPSPIN - structure solution

CYANA - structure solution

NMR spectrometers:

  • Bruker AvanceIII 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks