Structure of PDB 8uiq Chain A Binding Site BS02

Receptor Information
>8uiq Chain A (length=373) Species: 160488 (Pseudomonas putida KT2440) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKIAIVGAGLGGAAAATLLQQAGFDVEVFEQAPAFTRLGAGIQIGPNVMK
IFRRMGLEQKLELMGSHPDFWFSRDGNTGDYLSRIPLGEFARREYGAAYI
TIHRGDLHALQIEAIQPGTVHFGKRLEKIVDEGDQVRLDFADGTHTVADI
VIGADGIHSKIREELLGAEAPIYSGWVAHRALIRGVNLAQHADVFEPCVK
WWSEDRHMMVYYTTGKRDEYYFVTGVPHEAWDFQGAFVDSSQEEMRAAFE
GYHPTVQKLIDATESITKWPLRNRNPLPLWSRGRLVLLGDACHPMKPHMA
QGACMAIEDAAMLTRCLQETGLSDHRTAFALYEANRKERASQVQSVSNAN
TWLYSQEDPAWVYGYDLYGQQLE
Ligand information
Ligand IDPYS
InChIInChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChIKeyWHMDPDGBKYUEMW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccnc(c1)S
CACTVS 3.341Sc1ccccn1
ACDLabs 10.04Sc1ncccc1
FormulaC5 H5 N S
Name2-PYRIDINETHIOL
ChEMBLCHEMBL1235541
DrugBankDB03329
ZINCZINC000000403023
PDB chain8uiq Chain A 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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PDB8uiq Ligand bound structure of a 6-hydroxynicotinic acid 3-monooxygenase provides mechanistic insights.
Resolution2.17 Å
Binding residue
(original residue number in PDB)		Y225 V227
Binding residue
(residue number reindexed from 1)		Y221 V223
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.13.114: 6-hydroxynicotinate 3-monooxygenase.
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:8uiq, PDBe:8uiq, PDBj:8uiq
PDBsum8uiq
PubMed38104959
UniProtQ88FY2|6HN3M_PSEPK 6-hydroxynicotinate 3-monooxygenase (Gene Name=nicC)

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