Structure of PDB 2zyr Chain B Binding Site BS01

Receptor Information
>2zyr Chain B (length=454) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFRPVVFVHGLAGSAGQFESQGMRFAANGYPAEYVKTFEYDTISWALVVE
TDMLFSGLGSEFGLNISQIIDPETLDKILSKSRERLIDETFSRLDRVIDE
ALAESGADKVDLVGHSMGTFFLVRYVNSSPERAAKVAHLILLDGVWGVDA
PEGIPTLAVFGNPKALPALGLPEEKVVYNATNVYFNNMTHVQLCTSPETF
AVMFEFINGYKPATTDIVPQDGDYVKVKGKFLAFATNGDVSGWLSIYPID
ENGKRLTRLPVKFMRVKGDFEVRLRKGQLYEFQFRKDFSPIIYHYYRAPF
VRDDLWARFLVSKPPLDVELLILPERLSPAAKETSGLLLIRYKEMIGEYD
EEIGGVDEVYVNGVNVCTERICPIERAVNGLWVFDRGADGKSDLDREVVR
YSIMPFMSAADLVVPAEGTISIAVKSRTGGEESFTIPAWSADRHSIIVQF
SDYI
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2zyr Chain B Residue 2004 [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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PDB2zyr Structure of the alkalohyperthermophilic Archaeoglobus fulgidus lipase contains a unique C-terminal domain essential for long-chain substrate binding.
Resolution1.77 Å
Binding residue
(original residue number in PDB)		D405 R406 D409 K411 D431
Binding residue
(residue number reindexed from 1)		D385 R386 D389 K391 D411
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:2zyr, PDBe:2zyr, PDBj:2zyr
PDBsum2zyr
PubMed19447113
UniProtO28511

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