Structure of PDB 1u1w Chain B Binding Site BS01

Receptor Information
>1u1w Chain B (length=279) Species: 294 (Pseudomonas fluorescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMHNYVIIDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFV
LKPRNGGDALIRIFTPVNELPFAGHPLLGTAIALGAHTDNHRLYLETQMG
TIAFELERQNGSVIAASMDQPIPTWTALGRDAELLKALGISDSTFPIEIY
HNGPRHVFVGLPSIDALSALHPDHRALSNFHDMAINCFAGAGRRWRSRMF
SPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEILQGVEIGRPSLMF
AKAEGRAEQLTRVEVSGNGVTFGRGTIVL
Ligand information
Ligand ID3HA
InChIInChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
InChIKeyWJXSWCUQABXPFS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)O)N)C(=O)O
CACTVS 3.341Nc1c(O)cccc1C(O)=O
ACDLabs 10.04O=C(O)c1cccc(O)c1N
FormulaC7 H7 N O3
Name3-HYDROXYANTHRANILIC ACID;
2-AMINO-3-HYDROXYBENZOIC ACID
ChEMBLCHEMBL445304
DrugBankDB03644
ZINCZINC000000388292
PDB chain1u1w Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1u1w Structure and function of the phenazine biosynthetic protein PhzF from Pseudomonas fluorescens.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		E45 A72 G73 H74 M198 Y203 D208 T211 G212 S213
Binding residue
(residue number reindexed from 1)		E46 A73 G74 H75 M199 Y204 D209 T212 G213 S214
Annotation score1
Binding affinityMOAD: Kd=1.4uM
Enzymatic activity
Enzyme Commision number 5.3.3.17: trans-2,3-dihydro-3-hydroxyanthranilate isomerase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016853 isomerase activity
GO:0102943 trans-2,3-dihydro-3-hydroxy-anthranilate isomerase activity
Biological Process
GO:0002047 phenazine biosynthetic process
GO:0009058 biosynthetic process
GO:0017000 antibiotic biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1u1w, PDBe:1u1w, PDBj:1u1w
PDBsum1u1w
PubMed15545603
UniProtQ51792|PHZF_PSEFL Trans-2,3-dihydro-3-hydroxyanthranilate isomerase (Gene Name=phzF)

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