Structure of PDB 2zyi Chain B Binding Site BS01

Receptor Information
>2zyi Chain B (length=450) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDFRPVVFVHGLAGSAGQFESQGMRFAANGYPAEYVKTFEYDTISWALVV
ETDMLFSGLGSEFGLNISQIIDPETLDKILSKSRERLIDETFSRLDRVID
EALAESGADKVDLVGHSMGTFFLVRYVNSSPERAAKVAHLILLDGVWGVD
APEGIPTLAVFGNPKALEEKVVYNATNVYFNNMTHVQLCTSPETFAVMFE
FINGYKPATTDIVPQDGDYVKVKGKFLAFATNGDVSGWLSIYPIDENGKR
LTRLPVKFMRVKGDFEVRLRKGQLYEFQFRKDFSPIIYHYYRAPFVRDDL
WARFLVSKPPLDVELLILPERLSPAAKETSGLLLIRYKEMIGEYDEEIGG
VDEVYVNGVNVCTERICPIERAVNGLWVFDRGADGKSDLDREVVRYSIMP
FMSAADLVVPAEGTISIAVKSRTGGEESFTIPAWSADRHSIIVQFSDYIV
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 chain2zyi Chain B Residue 700 [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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PDB2zyi Structure of the alkalohyperthermophilic Archaeoglobus fulgidus lipase contains a unique C-terminal domain essential for long-chain substrate binding.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D405 R406 D409 K411 D431
Binding residue
(residue number reindexed from 1)		D380 R381 D384 K386 D406
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.3: triacylglycerol lipase.
Gene Ontology
Molecular Function
GO:0016746 acyltransferase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2zyi, PDBe:2zyi, PDBj:2zyi
PDBsum2zyi
PubMed19447113
UniProtO28511

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