Structure of PDB 7ceb Chain B Binding Site BS01

Receptor Information
>7ceb Chain B (length=374) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENPRGSKDIKKNKNVTNLKPEDITQIQPQQLVLRLRSGEPQTFTLKFKRA
EDYPIDLYYLMDLSYSMKDDLENVKSLGTDLMNEMRRITSDFRIGFGSFV
EKTVMPYISTTPAKLRNPCTSEQNCTSPFSYKNVLSLTNKGEVFNELVGK
QRISGNLDSPEGGFDAIMQVAVCGSLIGWRNVTRLLVFSTDAGFHFAGDG
KLGGIVLPNDGQCHLENNMYTMSHYYDYPSIAHLVQKLSENNIQTIFAVT
EEFQPVYKELKNLIPKSAVGTLSANSSNVIQLIIDAYNSLSSEVILENGK
LSEGVTISYKSYCKNGVNGTGENGRKCSNISIGDEVQFEISITSNKCPKK
DSDSFKIRPLGFTEEVEVILQYIC
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 chain7ceb Chain B Residue 1001 [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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PDB7ceb Structural mechanism of laminin recognition by integrin.
Resolution2.89 Å
Binding residue
(original residue number in PDB)		E169 N224 D226 S227 P228 E229
Binding residue
(residue number reindexed from 1)		E101 N156 D158 S159 P160 E161
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7ceb, PDBe:7ceb, PDBj:7ceb
PDBsum7ceb
PubMed34188035
UniProtP05556|ITB1_HUMAN Integrin beta-1 (Gene Name=ITGB1)

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