Structure of PDB 5ffg Chain B Binding Site BS02

Receptor Information
>5ffg Chain B (length=248) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYPVDLYYLMDLSASMDDDLNTIKELGSRLSKEMSKLTSNFRLGFGSFVE
KPVSPFVKTTPEEIANPCSSIPYFCLPTFGFKHILPLTNDAERFNEIVKN
QKISANIDTPEGGFDAIMQAAVCKEKIGWRNDSLHLLVFVSDADSHFGMD
SKLAGIVCPNDGLCHLDSKNEYSMSTVLEYPTIGQLIDKLVQNNVLLIFA
VTQEQVHLYENYAKLIPGATVGLLQKDSGNILQLIISAYEELRSEVEL
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 chain5ffg Chain B 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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PDB5ffg Force interacts with macromolecular structure in activation of TGF-beta.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		D123 S125 E223 D254
Binding residue
(residue number reindexed from 1)		D11 S13 E111 D142
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5ffg, PDBe:5ffg, PDBj:5ffg
PDBsum5ffg
PubMed28117447
UniProtP18564|ITB6_HUMAN Integrin beta-6 (Gene Name=ITGB6)

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