Structure of PDB 3a6z Chain A Binding Site BS08

Receptor Information
>3a6z Chain A (length=613) Species: 91465 (Pseudomonas sp. MIS38) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVYDYKNFGTADSKALFSDAMAITLYSYHNLDNGFAAGYQHNGFGLGLPA
TLVTALLGGTDSQGVIPGIPWNPDSEKLALDAVKKAGWTPITASQLGYDG
KTDARGTFFGEKAGYTTAQVEILGKYDAQGHLTEIGIAFRGTSGPRENLI
LDSIGDVINDLLAAFGPKDYAKNYVGEAFGNLLNDVVAFAKANGLSGKDV
LVSGHSLGGLAVNSMADLSGGKWGGFFADSNYIAYASPTQSSTDKVLNVG
YENDPVFRALDGSTFTGASVGVHDAPKESATDNIVSFNDHYASTAWNLLP
FSILNIPTWISHLPTAYGDGMNRIIESKFYDLTSKDSTIIVANLSDPARA
NTWVQDLNRNAETHKGSTFIIGSDSNDLIQGGSGNDYLEGRAGNDTFRDG
GGYNVILGGAGNNTLDLQKSVNTFDFANDGAGNLYVRDANGGISITRDIG
SIVTKEPGFLWGDDVTHSVTASGLKVGSNVTQYDASVKGTNGADTLKAHA
GGDWLFGLDGNDHLIGGVGNDVFVGGAGNDLMESGGGADTFLFNGAFGQD
RVVGFTSNDKLVFLGVQGVLPNDDFRAHASMVGQDTVLKFGGDSVTLVGV
ALNSLSADGIVIA
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 chain3a6z Chain A Residue 626 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3a6z X-ray Crystallographic and MD Simulation Studies on the Mechanism of Interfacial Activation of a Family I.3 Lipase with Two Lids
Resolution2.15 Å
Binding residue
(original residue number in PDB)		G530 G532 D534 F551 D554
Binding residue
(residue number reindexed from 1)		G526 G528 D530 F547 D550
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.3: triacylglycerol lipase.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0046872 metal ion binding
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:3a6z, PDBe:3a6z, PDBj:3a6z
PDBsum3a6z
PubMed20438738
UniProtQ9RBY1

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