Structure of PDB 6vef Chain A Binding Site BS02

Receptor Information
>6vef Chain A (length=844) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTNVKQVKVLQLINAYRFRGHQHANLDPLGLYQQDKVADLDPSFHDLTEA
DFQETFNVGSFASGKETMKLGELLEALKQTYCGPIGAEYMHITSTEEKRW
IQQRIESGRATFNSEEKKRFLSELTAAEGLERYLGAKFPGAKRFSLEGDA
LIPMLKEMIRHAGNSGTREVVLGMAHRGRLNVLVNVLGKKPQDLFDEFAG
KHKEHLGTGDVKYHMGFSSDFQTDGGLVHLALAFNPSHLEIVSPVVIGSV
RARLDRLDEPSSNKVLPITIHGDAAVTGQGVVQETLNMSKARGYEVGGTV
RIVINNQVGFTTSNPLDARSTPYMTDIGKMVQAPIFHVNADDPEAVAFVT
RLALDFRNTFKRDVFIDLVCYRRHGHNEADEPSATQKIKKHPTPRKIYAD
KLEQEKVATLEDATEMVNLYRDALDAGDCVVAEWRPMNMHSFTWSPYLNH
EWDEEYPNKVEMKRLQELAKRISTVPEAVEMQSRVAKIYGDRQAMAAGEK
LFDWGGAENLAYATLVDEGIPVRLSGEDSGRGTFFHRHAVIHNQSNGSTY
TPLQHIHNGQGAFRVWDSVLSEEAVLAFEYGYATAEPRTLTIWEAQFGDF
ANGAQVVIDQFISSGEQKWGRMCGLVMLLPHGYEGQGPEHSSARLERYLQ
LCAEQNMQVCVPSTPAQVYHMLRRQALRGMRRPLVVMSPKSLLRHPLAVS
SLEELANGTFLPAIGEIDELDPKGVKRVVMCSGKVYYDLLEQRRKNNQHD
VAIVRIEQLYPFPHKAMQEVLQQFAHVKDFVWCQEEPLNQGAWYCSQHHF
REVIPFGASLRYAGRPASASPAVGHMSVHQKQQQDLVNDALNVE
Ligand information
Ligand IDOAA
InChIInChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1
InChIKeyKHPXUQMNIQBQEV-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)CC(=O)C(=O)O
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)C(=O)[O-]
CACTVS 3.341OC(=O)C(=O)CC([O-])=O
FormulaC4 H3 O5
NameOXALOACETATE ION
ChEMBL
DrugBankDB02637
ZINC
PDB chain6vef Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6vef Cryo-EM Structure of Escherichia coli 2-oxoglutarate dehydrogenase E1 component sucA
Resolution4.08 Å
Binding residue
(original residue number in PDB)		L659 Q685 F689
Binding residue
(residue number reindexed from 1)		L570 Q596 F600
Annotation score3
Enzymatic activity
Enzyme Commision number 1.2.4.2: oxoglutarate dehydrogenase (succinyl-transferring).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0004591 oxoglutarate dehydrogenase (succinyl-transferring) activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0016624 oxidoreductase activity, acting on the aldehyde or oxo group of donors, disulfide as acceptor
GO:0030976 thiamine pyrophosphate binding
GO:0042802 identical protein binding
Biological Process
GO:0006099 tricarboxylic acid cycle
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0045252 oxoglutarate dehydrogenase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6vef, PDBe:6vef, PDBj:6vef
PDBsum6vef
PubMed
UniProtP0AFG3|ODO1_ECOLI 2-oxoglutarate dehydrogenase E1 component (Gene Name=sucA)

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