Structure of PDB 5m4o Chain B Binding Site BS01

Receptor Information
>5m4o Chain B (length=325) Species: 436446 (Sphingomonas sp. TTNP3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARTDTEHLAINNETGYRSFRAGGFTFTRDEYFARLTWPGGSHIIPIDAFL
RAMMRDVAWGFFYGVVNFDHVFGTINHYGEVTMFAGRFNDAYRNAGRDHE
ERFKSSALMAVFKDILSDWTVEGYDPFAAPMETGLPWGIKNGNNDEAISR
QRVTARRMVGLPGDTPVRTDANGFPVNRQFADVPQEQPVVEAEPGFEAEV
SAYNLFGYLSRSDVTWNPSVCSVVGDSLFCPTSEEFILPVEHGNDRCEWF
LQLSDEIVWDVKDKESGKPRARVTARAGDICCMPADIRHQGYSTKRSMLL
VWENGSPKIPQMIADGTAPVVPVTF
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain5m4o Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5m4o The crystal structures of native hydroquinone 1,2-dioxygenase from Sphingomonas sp. TTNP3 and of substrate and inhibitor complexes.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H258 E264 H305
Binding residue
(residue number reindexed from 1)		H242 E248 H289
Annotation score4
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:5m4o, PDBe:5m4o, PDBj:5m4o
PDBsum5m4o
PubMed28232026
UniProtF8TW83

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