Structure of PDB 5m26 Chain H Binding Site BS02

Receptor Information
>5m26 Chain H (length=329) Species: 436446 (Sphingomonas sp. TTNP3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIDFKARTDTEHLAINNETGYRSFRAGGFTFTRDEYFARLTWPGGSHIIP
IDAFLRAMMRDVAWGFFYGVVNFDHVFGTINHYGEVTMFAGRFNDAYRNA
GRDHEERFKSSALMAVFKDILSDWTVEGYDPFAAPMETGLPWGIKNGNND
EAISRQRVTARRMVGLPGDTPVRTDANGFPVNRQFADVPQEQPVVEAEPG
FEAEVSAYNLFGYLSRSDVTWNPSVCSVVGDSLFCPTSEEFILPVEHGND
RCEWFLQLSDEIVWDVKDKESGKPRARVTARAGDICCMPADIRHQGYSTK
RSMLLVWENGSPKIPQMIADGTAPVVPVT
Ligand information
Ligand ID7DV
InChIInChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3
InChIKeyCNHDIAIOKMXOLK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cc(O)ccc1O
OpenEye OEToolkits 2.0.6Cc1cc(ccc1O)O
FormulaC7 H8 O2
Name2-methylbenzene-1,4-diol
ChEMBLCHEMBL450917
DrugBank
ZINCZINC000000388086
PDB chain5m26 Chain H Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5m26 The crystal structures of native hydroquinone 1,2-dioxygenase from Sphingomonas sp. TTNP3 and of substrate and inhibitor complexes.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		W75 F78 W232 P234 E250 L254 H258 F266 H305
Binding residue
(residue number reindexed from 1)		W64 F67 W221 P223 E239 L243 H247 F255 H294
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.-
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:5m26, PDBe:5m26, PDBj:5m26
PDBsum5m26
PubMed28232026
UniProtF8TW83

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