Structure of PDB 8d3d Chain J Binding Site BS03

Receptor Information
>8d3d Chain J (length=1314) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STARCSLFGSDFVNTFDGSMYSFAGYCSYLLAGGCQKRSFSIIGDFQNGK
RVSLSVYLGEFFDIHLFVNGTVTQGDQRVSMPYASKGLYLETEAGYYKLS
GEAYGFVARIDGSGNFQVLLSDRYFNKTCGLCGNFNIFAEDDFMTQEGTL
TSDPYDFANSWALSSGEQWCERASPPSSSCMQKGLWEQCQLLKSTSVFAR
CHPLVDPEPFVALCEKTLCECAGGLECACPALLEYARTCAQEGMVLYGWT
DHSACSPVCPAGMEYRQCVSPCARTCQSLHINEMCQERCVDGCSCPEGQL
LDEGLCVESTECPCVHSGKRYPPGTSLSRDCNTCICRNSQWICSNEECPG
ECLVTGQSHFKSFDNRYFTFSGICQYLLARDCQDHSFSIVIETVQCADDR
DAVCTRSVTVRLPGLHNSLVKLKHGAGVAMDGQDVQLPLLKGDLRIQHTV
TASVRLSYGEDLQMDWDGRGRLLVKLSPVYAGKTCGLCGNYNGNQGDDFL
TPSGLAEPRVEDFGNAWKLHGDCQDLQKQHSDPCALNPRMTRFSEEACAV
LTSPTFEACHRAVSPLPYLRNCRYDVCSCSDGRECLCGALASYAAACAGR
GVRVAWREPGRCELNCPKGQVYLQCGTPCNLTCRSLSYPDEECNEACLEG
CFCPPGLYMDERGDCVPKAQCPCYYDGEIFQPEDIFSDHHTMCYCEDGFM
HCTMSECAKTCQNYDLECMSMGLCPPGMVRHENRCVALERCPCFHQGKEY
APGETVKIGCNTCVCRDRKWNCTDHVCDATCSTIGMAHYLTFDGLKYLFP
GECQYVLVQDYCGSNPGTFRILVGNKGCSHPSVKCKKRVTILVEGGEIEL
FDGEVNVKRPMKDETHFEVVESGRYIILLLGKALSVVWDRHLSISVVLKQ
TYQEKVCGLCGNFDGIQNNDLTSSNLQVEEDPVDFGNSWKVSSQCADTRK
VPLDSSPATCHNNIMKQTMVDSSCRILTSDVFQDCNKLVDPEPYLDVCIY
DTCSCESIGDCACFCDTIAAYAHVCAQHGKVVTWRTATLCPQSCEERNLR
ENGYECEWRYNSCAPACQVTCQHPEPLACPVQCVEGCHAHCPPGKILDEL
LQTCVDPEDCPVSEPPLHDFYCSRLLDLVFLLDGSSRLSEAEFEVLKAFV
VDMMERLRISQKWVRVAVVEYHDGSHAYIGLKDRKRPSELRRIASQVKYA
GSQVASTSEVLKYTLFQIFSKIDRPEASRIALLLMASQEPQRMSRNFVRY
VQGLKKKKVIVIPVGIGPHANLKQIRLIEKQAPENKAFVLSSVDELEQQR
DEIVSYLCDLAPEA
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 chain8d3d Chain J Residue 2002 [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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PDB8d3d Structures of VWF tubules before and after concatemerization reveal a mechanism of disulfide bond exchange.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		D47 N164 N166 F168 D171 D172
Binding residue
(residue number reindexed from 1)		D17 N134 N136 F138 D141 D142
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8d3d, PDBe:8d3d, PDBj:8d3d
PDBsum8d3d
PubMed35776905
UniProtP04275|VWF_HUMAN von Willebrand factor (Gene Name=VWF)

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