Structure of PDB 7wpq Chain B Binding Site BS01

Receptor Information
>7wpq Chain B (length=711) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSTARCSLFGSDFVNTFDGSMYSFAGYCSYLLAGGCQKRSFSIIGDFQNG
KRVSLSVYLGEFFDIHLFVNGTVTQGDQRVSMPYASKGLYLETEAGYYKL
SGEAYGFVARIDGSGNFQVLLSDRYFNKTCGLCGNFNIFAEDDFMTQEGT
LTSDPYDFANSWALSSGEQWCERASPPSSSCNISSGEMQKGLWEQCQLLK
STSVFARCHPLVDPEPFVALCEKTLCECAGGLECACPALLEYARTCAQEG
MVLYGWTDHSACSPVCPAGMEYRQCVSPCARTCQSLHINEMCQERCVDGC
SCPEGQLLDEGLCVESTECPCVHSGKRYPPGTSLSRDCNTCICRNSQWIC
SNEECPGECLVTGQSHFKSFDNRYFTFSGICQYLLARDCQDHSFSIVIET
VQCADDRDAVCTRSVTVRLPGLHNSLVKLKHGAGVAMDGQDVQLPLLKGD
LRIQHTVTASVRLSYGEDLQMDWDGRGRLLVKLSPVYAGKTCGLCGNYNG
NQGDDFLTPSGLAEPRVEDFGNAWKLHGDCQDLQKQHSDPCALNPRMTRF
SEEACAVLTSPTFEACHRAVSPLPYLRNCRYDVCSCSDGRECLCGALASY
AAACAGRGVRVAWREPGRCELNCPKGQVYLQCGTPCNLTCRSLSYPDEEC
NEACLEGCFCPPGLYMDERGDCVPKAQCPCYYDGEIFQPEDIFSDHHTMC
YCEDGFMHCTM
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7wpq Chain B Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7wpq Structural basis of von Willebrand factor multimerization and tubular storage.
Resolution3.267 Å
Binding residue
(original residue number in PDB)
D47 N164 N166 F168 D172
Binding residue
(residue number reindexed from 1)
D18 N135 N137 F139 D143
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7wpq, PDBe:7wpq, PDBj:7wpq
PDBsum7wpq
PubMed35148377
UniProtP04275|VWF_HUMAN von Willebrand factor (Gene Name=VWF)

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