Structure of PDB 2zrs Chain D Binding Site BS02

Receptor Information
>2zrs Chain D (length=164) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSFLWNVFQRVDKDRSGVISDTELQQALSNGTWTPFNPVTVRSIISMFDR
ENKAGVNFSEFTGVWKYITDWQNVFRTYDRDNSGMIDKNELKQALSGFGY
RLSDQFHDILIRKFDRQGRGQIAFDDFIQGCIVLQRLTDIFRRYDTDQDG
WIQVSYEQYLSMVF
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 chain2zrs Chain D Residue 991 [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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PDB2zrs Crystallization and X-ray diffraction analysis of N-terminally truncated human ALG-2
Resolution3.1 Å
Binding residue
(original residue number in PDB)		D103 D105 S107 M109 E114
Binding residue
(residue number reindexed from 1)		D79 D81 S83 M85 E90
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) F85 G108 I110
Catalytic site (residue number reindexed from 1) F61 G84 I86
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:2zrs, PDBe:2zrs, PDBj:2zrs
PDBsum2zrs
PubMed18997320
UniProtO75340|PDCD6_HUMAN Programmed cell death protein 6 (Gene Name=PDCD6)

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