Structure of PDB 7xrx Chain A Binding Site BS01

Receptor Information
>7xrx Chain A (length=398) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVDEAAAKAVIKNYADLAEATFADALSTAKDLQKAIDAFLAKPDAETLKA
AKEAWFAARTPYSQSEAFRFGNAIIDDWEGQVNAWPLDEGLIDYVAKDYQ
HALGNPGATANIVANTEIQVGEDKIDVKEITGEKLASLNELGGSEANVAT
GYHAIEFLLWGQDLNGTGPGAGNRPATDYAQGKDCTGGHCDRRAAYLKAV
TDLLVSDLEYMAGQWKAGVADNYRAKLEAEPVDTGLRKMFFGMGSLSLGE
LAGERMKVALEANSTEDEHDCFSDDTHHTLFFNGKSIRNIYLGEYKRIDG
SVVKGPSLADLVAKADAAANDTLKADLADTEAKLQAIVDSAEKDGVHFDQ
MIAPDNKDGQQKIRDAIAALVKQTGAIEQAAGKLGIQDLKPDNADHEF
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 chain7xrx Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7xrx Crystallization and X-ray diffraction analysis of native and selenomethionine-substituted ICMP from P. aeruginosa
Resolution1.882 Å
Binding residue
(original residue number in PDB)		D163 E268 C271 D274 D349
Binding residue
(residue number reindexed from 1)		D163 E268 C271 D274 D349
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7xrx, PDBe:7xrx, PDBj:7xrx
PDBsum7xrx
PubMed
UniProtQ9HW32

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