Structure of PDB 2ztj Chain A Binding Site BS01

Receptor Information
>2ztj Chain A (length=312) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREWKIIDSTLREGEQFEKANFSTQDKVEIAKALDEFGIEYIEVTTPVAS
PQSRKDAEVLASLGLKAKVVTHIQCRLDAAKVAVETGVQGIDLLFGTGRD
IPRIIEEAKEVIAYIREAAPHVEVRFSAEDTFRSEEQDLLAVYEAVAPYV
DRVGLADTVGVATPRQVYALVREVRRVVGPRVDIEFHGHNDTGCAIANAY
EAIEAGATHVDTTILGIGERNGITPLGGFLARMYTLQPEYVRRKYKLEML
PELDRMVARMVGVEIPFNNYITGETAFSHKAGMHLKAIYINPEAYEPYPP
EVFGVKRKLIIA
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 chain2ztj Chain A Residue 383 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ztj Mechanism of substrate recognition and insight into feedback inhibition of homocitrate synthase from Thermus thermophilus
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R12 H72 L94 R133 A164 T166 H195 H197
Binding residue
(residue number reindexed from 1)		R12 H72 L94 R125 A156 T158 H187 H189
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) Q16
Catalytic site (residue number reindexed from 1) Q16
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:0036440 citrate synthase 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
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2ztj, PDBe:2ztj, PDBj:2ztj
PDBsum2ztj
PubMed19996101
UniProtO87198|HOSA_THET2 Homocitrate synthase (Gene Name=lys20)

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