BMRB Entry 19646

Name: Solution structure of the major factor VIII binding region on von Willebrand factor
Published: 2014-04-09

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PDB ID: 2mhp
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19646
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution structure of the major factor VIII binding region on von Willebrand factor PubMed: 24700780

Deposition date: 2013-12-02 Original release date: 2014-04-09

Authors: Shiltagh, Nuha; Kirkpatrick, John; Cabrita, Lisa; McKinnon, Tom; Thalassinos, Konstantinos; Tuddenham, Edward; Hansen, Flemming

Citation: Shiltagh, Nuha; Kirkpatrick, John; Cabrita, Lisa; McKinnon, Tom; Thalassinos, Konstantinos; Tuddenham, Edward; Hansen, D. Flemming. "Solution structure of the major factor VIII binding region on von Willebrand factor." Blood ., .-. (2014).

Assembly members:
VWF_TIL-E, polymer, 103 residues, 11351.283 Da.

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

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
VWF_TIL-E: GAMGSCRPPMVKLVCPADNL RAEGLECTKTCQNYDLECMS MGCVSGCLCPPGMVRHENRC VALERCPCFHQGKEYAPGET VKIGCNTCVCRDRKWNCTDH VCD

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	287
15N chemical shifts	85
1H chemical shifts	587

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	major factor VIII binding region on von Willebrand factor	1

Samples:

sample_1: VWF TIL-E, [U-13C; U-15N], 300 ± 100 mM; sodium phosphate 20 mM; sodium chloride 100 mM; H2O 90%; D2O 10%

sample_2: VWF TIL-E, [U-10% 13C], 300 ± 100 mM; sodium phosphate 20 mM; sodium chloride 100 mM; H2O 90%; D2O 10%

sample_3: VWF TIL-E, [U-15N], 300 ± 100 mM; sodium phosphate 20 mM; sodium chloride 100 mM; H2O 90%; D2O 10%

sample_4: VWF TIL-E, [U-13C; U-15N], 300 ± 100 mM; sodium phosphate 20 mM; sodium chloride 100 mM; H2O 90%; D2O 10%

sample_5: VWF TIL-E, [U-15N], 300 ± 100 mM; sodium phosphate 20 mM; sodium chloride 100 mM; H2O 90%; D2O 10%

sample_6: VWF TIL-E, [U-13C; U-15N], 300 ± 100 mM; sodium phosphate 20 mM; sodium chloride 100 mM; H2O 90%; D2O 10%

sample_7: VWF TIL-E, [U-13C; U-15N], 300 ± 100 mM; sodium phosphate 20 mM; sodium chloride 100 mM; Pf1 phage 5 ± 1 mg/mL; H2O 90%; D2O 10%

sample_8: VWF TIL-E, [U-13C; U-15N], 300 ± 100 mM; sodium phosphate 20 mM; sodium chloride 100 mM; pentaethylene glycol dodecyl ether 2 ± 0.2 % w/v; n-hexanol 50 ± 5 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 15N HSQC-NOESY-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HN(CACO)NH	sample_1	isotropic	sample_conditions_1
3D (H)CC(CO)NH	sample_1	isotropic	sample_conditions_1
3D H(CCCO)NH	sample_1	isotropic	sample_conditions_1
3D H(C)CH-TOCSY	sample_1	isotropic	sample_conditions_1
2D constant-time 1H-13C HSQC	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_4	isotropic	sample_conditions_1
{1H}15N steady-state NOE	sample_3	isotropic	sample_conditions_1
15N R1rho relaxation	sample_3	isotropic	sample_conditions_1
15N R1 relaxation	sample_3	isotropic	sample_conditions_1
15N R2-CPMG relaxation dispersion	sample_5	isotropic	sample_conditions_1
15N R2-CPMG relaxation dispersion	sample_5	isotropic	sample_conditions_1
2D IPAP-15N HSQC	sample_6	isotropic	sample_conditions_1
2D IPAP-15N HSQC	sample_7	anisotropic	sample_conditions_1
2D IPAP-15N HSQC	sample_8	anisotropic	sample_conditions_1
2D IPAP-E.COSY-15N HSQC	sample_6	isotropic	sample_conditions_1
2D IPAP-E.COSY-15N HSQC	sample_8	anisotropic	sample_conditions_1
3D IPAP-HNCO(J-CA)	sample_6	isotropic	sample_conditions_1
3D IPAP-HNCO(J-CA)	sample_8	anisotropic	sample_conditions_1
3D HN(CO)CA(J-CB)	sample_6	isotropic	sample_conditions_1
3D HN(CO)CA(J-CB)	sample_8	anisotropic	sample_conditions_1
3D IPAP-(HA)CA(CO)NH	sample_6	isotropic	sample_conditions_1
3D IPAP-(HA)CA(CO)NH	sample_8	anisotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D constant-time 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_4	isotropic	sample_conditions_1
2D constant-time 1H-13C HSQC	sample_4	isotropic	sample_conditions_1

PDB	2MHP 2MHQ
GB	AAB59512

Biological Magnetic Resonance Data Bank

BMRB Entry 19646

Title: Solution structure of the major factor VIII binding region on von Willebrand factor PubMed: 24700780

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