Structure of PDB 3ivs Chain A Binding Site BS01

Receptor Information
>3ivs Chain A (length=364) Species: 4896 (Schizosaccharomyces pombe) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPSDFLSRVNNFSIIESTLREGEQFANAFFDTEKKIQIAKALDNFGVDYI
ELTSPVASEQSRQDCEAICKLGLKCKILTHIRCHMDDARVAVETGVDGVD
VVIGTTYIIDSATEVINFVKSKGIEVRFSSEDSFRSDLVDLLSLYKAVDK
IGVNRVGIADTVGCATPRQVYDLIRTLRGVVSCDIECHFHNDTGMAIANA
YCALEAGATHIDTSILGIGERNGITPLGALLARMYVTDREYITHKYKLNQ
LRELENLVADAVEVQIPFNNYITGMCAFTHKAGIHAKAILANPSTYEILK
PEDFGMSRYVHVGSRLTGWNAIKSRAEQLNLHLQAKELTVRIKKLAVRTL
AMDDVDRVLREYHA
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain3ivs Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ivs Crystal structure and functional analysis of homocitrate synthase, an essential enzyme in lysine biosynthesis.
Resolution2.24 Å
Binding residue
(original residue number in PDB)		E44 H224 H226
Binding residue
(residue number reindexed from 1)		E21 H188 H190
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q47
Catalytic site (residue number reindexed from 1) Q24
Enzyme Commision number 2.3.3.14: homocitrate synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004410 homocitrate synthase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
GO:0046912 acyltransferase activity, acyl groups converted into alkyl on transfer
Biological Process
GO:0009085 lysine biosynthetic process
GO:0019752 carboxylic acid metabolic process
GO:0019878 lysine biosynthetic process via aminoadipic acid
GO:0043436 oxoacid metabolic process
GO:0044283 small molecule biosynthetic process
Cellular Component
GO:0005634 nucleus
GO:0005739 mitochondrion
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ivs, PDBe:3ivs, PDBj:3ivs
PDBsum3ivs
PubMed19776021
UniProtQ9Y823|HOSM_SCHPO Homocitrate synthase, mitochondrial (Gene Name=lys4)

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