Structure of PDB 5m4o Chain F Binding Site BS02

Receptor Information
>5m4o Chain F (length=326) Species: 436446 (Sphingomonas sp. TTNP3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KARTDTEHLAINNETGYRSFRAGGFTFTRDEYFARLTWPGGSHIIPIDAF
LRAMMRDVAWGFFYGVVNFDHVFGTINHYGEVTMFAGRFNDAYRNAGRDH
EERFKSSALMAVFKDILSDWTVEGYDPFAAPMETGLPWGIKNGNNDEAIS
RQRVTARRMVGLPGDTPVRTDANGFPVNRQFADVPQEQPVVEAEPGFEAE
VSAYNLFGYLSRSDVTWNPSVCSVVGDSLFCPTSEEFILPVEHGNDRCEW
FLQLSDEIVWDVKDKESGKPRARVTARAGDICCMPADIRHQGYSTKRSML
LVWENGSPKIPQMIADGTAPVVPVTF
Ligand information
Ligand IDNPO
InChIInChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
InChIKeyBTJIUGUIPKRLHP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04O=[N+]([O-])c1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])O
FormulaC6 H5 N O3
NameP-NITROPHENOL
ChEMBLCHEMBL14130
DrugBankDB04417
ZINCZINC000034828682
PDB chain5m4o Chain F Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		W75 W232 P234 E250 L254 H258 F266 H305 V317
Binding residue
(residue number reindexed from 1)		W60 W217 P219 E235 L239 H243 F251 H290 V302
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:5m4o, PDBe:5m4o, PDBj:5m4o
PDBsum5m4o
PubMed28232026
UniProtF8TW83

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