Structure of PDB 7e8q Chain C Binding Site BS03

Receptor Information
>7e8q Chain C (length=480) Species: 329 (Ralstonia pickettii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIRTGTQYLESLNDGRNVWVGNEKIDNVATHPKTRDYAQRHADFYDLHHR
PDLQDVMTYIDEGGQRRAMQWFGHRDKEQLRRKRKYHETVMREMAGASFP
RTPDVNNYVLTTYIDDPAPWETQSIGDDGHIKAGKIVDFIRYAREHDLNC
APQFVDPQMDRSNPDAQERSPGLRVVEKNEKGIVVNGVKAIGTGVAFADW
IHIGVFFRPGIPGDQVIFAATPVNTPGVTIVCRESLVKDDKVEHPLAAQG
DELDGMTVFENVFIPWSHVFHIGNPNHAKLYPQRVFDWLHYHALIRQMVR
AELVAGLAVLITEHIGTNKIPAVQTRVAKLIGFHQAMLAHLIASEELGFH
TPGGHYKPNILIYDFGRALYLENFSQMIYELVDLSGRSALIFASEDQWND
DKLNGWFERMNNGPVGRPHDRVKIGRVIRDLFLTDWGSRLVVFENFNGTP
LQGIRMLTMQRAEFSGSGPYGKLARQVCGI
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 chain7e8q Chain C Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7e8q Structural insights into a flavin-dependent dehalogenase HadA explain catalysis and substrate inhibition via quadruple pi-stacking.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		V441 V442 N445
Binding residue
(residue number reindexed from 1)		V441 V442 N445
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:7e8q, PDBe:7e8q, PDBj:7e8q
PDBsum7e8q
PubMed34252455
UniProtQ53008

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