Structure of PDB 3ivt Chain B Binding Site BS02

Receptor Information
>3ivt Chain B (length=400) Species: 4896 (Schizosaccharomyces pombe) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSEANGTETIKPPMPYGPNPSDFLSRVNNFSIIESTLREGEQFANAFFDT
EKKIQIAKALDNFGVDYIELTSPVASEQSRQDCEAICKLGLKCKILTHIR
CHMDDARVAVETGVDGVDVVIGTSQYLRKYSHGKDMTYIIDSATEVINFV
KSKGIEVRFSSEDSFRSDLVDLLSLYKAVDKIGVNRVGIADTVGCATPRQ
VYDLIRTLRGVVSCDIECHFHNDTGMAIANAYCALEAGATHIDTSILGIG
ERNGITPLGALLARMYVTDREYITHKYKLNQLRELENLVADAVEVQIPFN
NYITGMCAFTHKAGIHAKAILANPSTYEILKPEDFGMSRYVHVGSRLTGW
NAIKSRAEQLNLHLTDAQAKELTVRIKKLADVRTLAMDDVDRVLREYHAD
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain3ivt Chain B Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ivt Crystal structure and functional analysis of homocitrate synthase, an essential enzyme in lysine biosynthesis.
Resolution2.67 Å
Binding residue
(original residue number in PDB)		R43 H103 R163 S165 T197 H224 H226
Binding residue
(residue number reindexed from 1)		R38 H98 R158 S160 T192 H219 H221
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) Q47
Catalytic site (residue number reindexed from 1) Q42
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

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3ivt, PDBe:3ivt, PDBj:3ivt
PDBsum3ivt
PubMed19776021
UniProtQ9Y823|HOSM_SCHPO Homocitrate synthase, mitochondrial (Gene Name=lys4)

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