Structure of PDB 3i9h Chain F Binding Site BS01

Receptor Information
>3i9h Chain F (length=87) Species: 290402 (Clostridium beijerinckii NCIMB 8052) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAVTFYEDINYGGASVSLQPGNYTLSQLNTAKIPNDWMTSLKVPSGWTVD
VYENDNFTGTKWTYTSDTPWVGNDANDKMTSVKIYST
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 chain3i9h Chain F Residue 111 [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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PDB3i9h betagamma-Crystallin superfamily contains a universal motif for binding calcium.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E8 W38 T40 D78
Binding residue
(residue number reindexed from 1)		E7 W37 T39 D77
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links