Structure of PDB 6bgn Chain M Binding Site BS02

Receptor Information
>6bgn Chain M (length=58) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIAQIHILEGRSDEQKETLIREVSEAISRSLDAPLTSVRVIITEMAKGHF
GIGGELAS
Ligand information
Ligand ID6Y5
InChIInChI=1S/C5H7FO3/c6-3-1-2-4(7)5(8)9/h1-3H2,(H,8,9)
InChIKeyPKJPKDDIJZVSME-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)C(=O)CCCF
OpenEye OEToolkits 2.0.5C(CC(=O)C(=O)O)CF
FormulaC5 H7 F O3
Name5-fluoranyl-2-oxidanylidene-pentanoic acid
ChEMBL
DrugBank
ZINC
PDB chain6bgn Chain N Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6bgn Inactivation of 4-Oxalocrotonate Tautomerase by 5-Halo-2-hydroxy-2,4-pentadienoates.
Resolution1.51 Å
Binding residue
(original residue number in PDB)		M45 F50 I52
Binding residue
(residue number reindexed from 1)		M45 F50 I52
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P1 R39 F50
Catalytic site (residue number reindexed from 1) P1 R39 F50
Enzyme Commision number 5.3.2.6: 2-hydroxymuconate tautomerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
Biological Process
GO:0009056 catabolic process
GO:0042184 xylene catabolic process
GO:0042203 toluene catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6bgn, PDBe:6bgn, PDBj:6bgn
PDBsum6bgn
PubMed29303557
UniProtQ01468|4OT1_PSEPU 2-hydroxymuconate tautomerase (Gene Name=xylH)

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