Structure of PDB 4dbh Chain A Binding Site BS02

Receptor Information
>4dbh Chain A (length=269) Species: 1718 (Corynebacterium glutamicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMRFGRIATPDGMCFCSIEGEGDDVANLTAREIEGTPFTEPKFTGREWPL
KDVRLLAPMLPSKVVAIGRNYADHVAEVFKKSAESLPPTLFLKPPTAVTG
PESPIRIPSFATKVEFEGELAVVIGKPCKNVKADDWKSVVLGFTIINDVS
SRDLQFADGQWARAKGIDTFGPIGPWIETDINSIDLDNLPIKARLTHDGE
TQLKQDSNSNQMIMKMGEIIEFITASMTLLPGDVIATGSPAGTEAMVDGD
YIEIEIPGIGKLGNPVVDA
Ligand information
Ligand IDOXL
InChIInChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
InChIKeyMUBZPKHOEPUJKR-UHFFFAOYSA-L
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-]C(=O)C([O-])=O
OpenEye OEToolkits 1.5.0C(=O)(C(=O)[O-])[O-]
FormulaC2 O4
NameOXALATE ION
ChEMBL
DrugBank
ZINC
PDB chain4dbh Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4dbh Crystal structures of Cg1458 reveal a catalytic lid domain and a common catalytic mechanism for FAH family.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		G67 R68 H73 F90 E116 K164 S238
Binding residue
(residue number reindexed from 1)		G68 R69 H74 F91 E117 K165 S239
Annotation score3
Enzymatic activity
Enzyme Commision number 4.1.1.-
5.3.3.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4dbh, PDBe:4dbh, PDBj:4dbh
PDBsum4dbh
PubMed23046410
UniProtQ8NQY2

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