Structure of PDB 4jy3 Chain B Binding Site BS02

Receptor Information
>4jy3 Chain B (length=370) Species: 266835 (Mesorhizobium japonicum MAFF 303099) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTRRAEVAGGGFAGLTAAIALKQNGWDVRLHEKSSELRAFGAGIYLWHNG
LRVLEGLGALDDVLQGSHTPPTYETWMHNKSVSKETFNGLPWRIMTRSHL
HDALVNRARALGVDISVNSEAVAADPVGRLTLQTGEVLEADLIVGADGVG
SKVRDSIGFKQDRWVSKDGLIRLIVPRMKKELGHGEWDNTIDMWNFWPRV
QRILYSPCNENELYLGLMAPAADPRGSSVPIDLEVWVEMFPFLEPCLIEA
AKLKTARYDKYETTKLDSWTRGKVALVGDAAHAMCPALAQGAGCAMVNAF
SLSQDLEEGSSVEDALVAWETRIRPITDRCQALSGDYAANRSLSKGNMFT
PAALEAARYDPLRRVYSWPQ
Ligand information
Ligand ID5PR
InChIInChI=1S/C8H9NO4/c1-4-7(11)6(3-10)5(2-9-4)8(12)13/h2,10-11H,3H2,1H3,(H,12,13)
InChIKeyVJZTVPVXKYQRJZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Cc1ncc(C(O)=O)c(CO)c1O
ACDLabs 12.01O=C(O)c1cnc(c(O)c1CO)C
OpenEye OEToolkits 1.7.0Cc1c(c(c(cn1)C(=O)O)CO)O
FormulaC8 H9 N O4
Name5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid;
5-Pyridoxic acid
ChEMBL
DrugBank
ZINC
PDB chain4jy3 Chain B Residue 403 [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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PDB4jy3 Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase
Resolution1.77 Å
Binding residue
(original residue number in PDB)		Y54 R211 L213 P295 A296
Binding residue
(residue number reindexed from 1)		Y45 R202 L204 P286 A287
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.12.4: Transferred entry: 1.14.13.242.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004497 monooxygenase activity
GO:0071949 FAD binding

View graph for
Molecular Function
External links
PDB RCSB:4jy3, PDBe:4jy3, PDBj:4jy3
PDBsum4jy3
PubMed
UniProtQ988D3

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