Structure of PDB 3gmc Chain B Binding Site BS02

Receptor Information
>3gmc Chain B (length=369) Species: 381 (Mesorhizobium loti) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRRAEVAGGGFAGLTAAIALKQNGWDVRLHEKSSELRAFGAGIYLWHNGL
RVLEGLGALDDVLQGSHTPPTYETWMHNKSVSKETFNGLPWRIMTRSHLH
DALVNRARALGVDISVNSEAVAADPVGRLTLQTGEVLEADLIVGADGVGS
KVRDSIGFKQDRWVSKDGLIRLIVPRMKKELGHGEWDNTIDMWNFWPRVQ
RILYSPCNENELYLGLMAPAADPRGSSVPIDLEVWVEMFPFLEPCLIEAA
KLKTARYDKYETTKLDSWTRGKVALVGDAAHAMCPALAQGAGCAMVNAFS
LSQDLEEGSSVEDALVAWETRIRPITDRCQALSGDYAANRSLSKGNMFTP
AALEAARYDPLRRVYSWPQ
Ligand information
Ligand ID3HM
InChIInChI=1S/C7H7NO3/c1-4-6(9)2-5(3-8-4)7(10)11/h2-3,9H,1H3,(H,10,11)
InChIKeyNYEFWJFPBFRRKU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(cc(cn1)C(=O)O)O
CACTVS 3.341Cc1ncc(cc1O)C(O)=O
ACDLabs 10.04O=C(O)c1cnc(c(O)c1)C
FormulaC7 H7 N O3
Name5-hydroxy-6-methylpyridine-3-carboxylic acid;
2-methyl-3-hydroxypyridine-5-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000000895555
PDB chain3gmc Chain B Residue 381 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3gmc Structure of the PLP degradative enzyme 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase from Mesorhizobium loti MAFF303099 and its mechanistic implications.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y54 R211 L213 P295 A296
Binding residue
(residue number reindexed from 1)		Y44 R201 L203 P285 A286
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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:3gmc, PDBe:3gmc, PDBj:3gmc
PDBsum3gmc
PubMed19317437
UniProtQ988D3

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