Structure of PDB 4hmw Chain A Binding Site BS01

Receptor Information
>4hmw Chain A (length=202) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSVDVLFPEYDDPPSEPITLLKRWLATADVARVREPKALALATATSDGRI
SSRVIAFSSIDDRGVIFCTHSTSRKGRELTETGWASGLLYWRETGQQIMI
SGQAVPLEESENDKLWFGRSVPMHAMSSASHQSDELVDREALRAHAAELL
ALGVALPRPPRFVGYRLEPHEMEFWAASSDRLHRRLRYERDGNDWKTTQL
QP
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain4hmw Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hmw Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis
Resolution1.53 Å
Binding residue
(original residue number in PDB)		R63 V64 I65 A66 C78 T79 S83 R84 K85 Q142 S143
Binding residue
(residue number reindexed from 1)		R53 V54 I55 A56 C68 T69 S73 R74 K75 Q132 S133
Annotation score1
Enzymatic activity
Enzyme Commision number 1.10.3.16: dihydrophenazinedicarboxylate synthase.
Gene Ontology
Molecular Function
GO:0004733 pyridoxamine phosphate oxidase activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
Biological Process
GO:0002047 phenazine biosynthetic process
GO:0008615 pyridoxine biosynthetic process
GO:0017000 antibiotic biosynthetic process
GO:0042816 vitamin B6 metabolic process
GO:0042823 pyridoxal phosphate biosynthetic process
GO:1901615 organic hydroxy compound metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4hmw, PDBe:4hmw, PDBj:4hmw
PDBsum4hmw
PubMed23897464
UniProtQ396C5|PHZG_BURL3 Dihydrophenazinedicarboxylate synthase (Gene Name=phzG)

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