Structure of PDB 6bxf Chain A Binding Site BS01

Receptor Information
>6bxf Chain A (length=463) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPNICTTRGVSSCQQCLAVSPMCAWCSDEALPLGSPRCDLKENLLKDNCA
PESIEFPVSEARVLEDRPLSDKGSGDSSQVTQVSPQRIALRLRPDDSKNF
SIQVRQVEDGNVDLVFLFDGSMSLQPDEFQKILDFMKDVMKKLSNTSYQF
AAVQFSTSYKTEFDFSDYVKWKDPDALLKHVKHMLLLTNTFGAINYVATE
VFREELGARPDATKVLIIITDGEATDSGNIDAAKDIIRYIIGIGKHFQTK
ESQETLHKFASKPASEFVKILDTFEKLKDLFTELQKKIRSKVELEVRDLP
EELSLSFNATCLNNEVIPGLKSCMGLKIGDTVSFSIEAKVRGCPQEKEKS
FTIKPVGFKDSLIVQVTFDCDCACQAQAEPNSHRCNNGNGTFECGVCRCG
PGWLGSQCECSEEDYRPSQQDECSPREGQPVCSQRGECLCGQCVCHSSDF
GKITGKYCETREL
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 chain6bxf Chain A Residue 505 [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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PDB6bxf Structure of an extended beta3integrin.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		S121 S123 D221 G222
Binding residue
(residue number reindexed from 1)		S121 S123 D221 G222
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6bxf, PDBe:6bxf, PDBj:6bxf
PDBsum6bxf
PubMed30018079
UniProtP05106|ITB3_HUMAN Integrin beta-3 (Gene Name=ITGB3);
P20701|ITAL_HUMAN Integrin alpha-L (Gene Name=ITGAL)

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