Structure of PDB 3ivt Chain B Binding Site BS01

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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3ivt Chain B Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		E44 H224 H226
Binding residue
(residue number reindexed from 1)		E39 H219 H221
Annotation score1
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
View graph for
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)

[Back to BioLiP]