Structure of PDB 4hmt Chain A Binding Site BS02

Receptor Information
>4hmt Chain A (length=205) Species: 294 (Pseudomonas fluorescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLTGTLDAPFPEYQTLPADPMSVLHNWLERARRVGIREPRALALATADSQ
GRPSTRIVVISEISDAGVVFSTHAGSQKGRELLHNPWASGVLYWRETSQQ
IILNGQAVRLPNAKADDAWLKRPYATHPMSSVSRQSEELQDVQAMRNAAR
QLAELQGPLPRPEGYCVFELRLESLEFWGNGQERLHERLRYDRSDTGWNV
RRLQP
Ligand information
Ligand IDNNV
InChIInChI=1S/C14H14N2O4/c17-13(18)7-3-1-5-9-11(7)16-10-6-2-4-8(14(19)20)12(10)15-9/h1-2,5-8,11,16H,3-4H2,(H,17,18)(H,19,20)/t7-,8-,11+/m1/s1
InChIKeyFXTPBWZKMDQSSJ-XLDPMVHQSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC(=O)[CH]1CC=CC2=NC3=C(N[CH]12)C=CC[CH]3C(O)=O
OpenEye OEToolkits 1.7.6C1C=CC2=NC3=C(C=CC[C@H]3C(=O)O)NC2[C@@H]1C(=O)O
CACTVS 3.370OC(=O)[C@@H]1CC=CC2=NC3=C(N[C@@H]12)C=CC[C@H]3C(O)=O
OpenEye OEToolkits 1.7.6C1C=CC2=NC3=C(C=CCC3C(=O)O)NC2C1C(=O)O
ACDLabs 12.01O=C(O)C3C=2N=C1C=CCC(C(=O)O)C1NC=2C=CC3
FormulaC14 H14 N2 O4
Name(1R,5aS,6R)-1,2,5,5a,6,7-hexahydrophenazine-1,6-dicarboxylic acid
ChEMBL
DrugBank
ZINCZINC000085589516
PDB chain4hmt Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hmt Trapped intermediates in crystals of the FMN-dependent oxidase PhzG provide insight into the final steps of phenazine biosynthesis
Resolution1.42 Å
Binding residue
(original residue number in PDB)		S88 H90 R139 S147 Y182
Binding residue
(residue number reindexed from 1)		S71 H73 R122 S130 Y165
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R201
Catalytic site (residue number reindexed from 1) R184
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
GO:0016638 oxidoreductase activity, acting on the CH-NH2 group of donors
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:4hmt, PDBe:4hmt, PDBj:4hmt
PDBsum4hmt
PubMed23897464
UniProtQ51793|PHZG_PSEFL Dihydrophenazinedicarboxylate synthase (Gene Name=phzG)

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