Structure of PDB 6ckb Chain A Binding Site BS01

Receptor Information
>6ckb Chain A (length=464) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPNICTTRGVSSCQQCLAVSPMCAWCSDEALPPGSPRCDLKENLLKDNCA
PESIEFPVSEARVLEDRPLSDKGSGDSSQVTQVSPQRIALRLRPDDSKNF
SIQVRQVEDGNVDLVFLFDGSMSLQPDEFQKILDFMKDVMKKLSNTSYQF
AAVQFSTSYKTEFDFSDYVKWKDPDALLKHVKHMLLLTNTFGAINYVATE
VFREELGARPDATKVLIIITDGEATDSGNIDAAKDIIRYIIGIGKHFQTK
ESQETLHKFASKPASEFVKILDTFEKLKDLFTELQKKIRSKVELEVRDLP
EELSLSFNATCLNNEVIPGLKSCMGLKIGDTVSFSIEAKVRGCPQEKEKS
FTIKPVGFKDSLIVQVTFDCDCACQAQAEPNSHRCNNGNGTFECGVCRCG
PGWLGSQCECSEEDYRPSQQDECSPREGQPVCSQRGECLCGQCVCHSSDF
GKITGKYCETRELY
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6ckb Chain A Residue 501 [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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PDB6ckb Structure of an extended beta3integrin.
Resolution2.8 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:6ckb, PDBe:6ckb, PDBj:6ckb
PDBsum6ckb
PubMed30018079
UniProtP05106|ITB3_HUMAN Integrin beta-3 (Gene Name=ITGB3);
P20701|ITAL_HUMAN Integrin alpha-L (Gene Name=ITGAL)

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