Structure of PDB 5t7e Chain B Binding Site BS02

Receptor Information
>5t7e Chain B (length=174) Species: 1912 (Streptomyces hygroscopicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADIRRATEADMPAVCTIVNHYIETSTVNFRTEPQEPQEWTDDLVRLRERY
PWLVAEVDGEVAGIAYAGPWKARNAYDWTAESTVYVSPRHQRTGLGSTLY
THLLKSLEAQGFKSVVAVIGLPNDPSVRMHEALGYAPRGMLRAAGFKHGN
WHDVGFWQLDFSLPVPPRPVLPVT
Ligand information
Ligand IDPPQ
InChIInChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKeyIAJOBQBIJHVGMQ-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[P@](O)(=O)CC[C@H](N)C(O)=O
ACDLabs 10.04O=P(O)(C)CCC(C(=O)O)N
OpenEye OEToolkits 1.5.0CP(=O)(CCC(C(=O)O)N)O
OpenEye OEToolkits 1.5.0C[P@](=O)(CC[C@@H](C(=O)O)N)O
CACTVS 3.341C[P](O)(=O)CC[CH](N)C(O)=O
FormulaC5 H12 N O4 P
NamePHOSPHINOTHRICIN;
2-AMINO-4-(HYDROXYMETHYL-PHOSPHINYL)BUTANOIC ACID
ChEMBLCHEMBL145114
DrugBank
ZINCZINC000000902209
PDB chain5t7e Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5t7e Non-specific activities of the major herbicide-resistance gene BAR.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F36 T90 Y92 V125 G127
Binding residue
(residue number reindexed from 1)		F29 T83 Y85 V118 G120
Annotation score5
Enzymatic activity
Enzyme Commision number 2.3.1.183: phosphinothricin acetyltransferase.
Gene Ontology
Molecular Function
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0102971 phosphinothricin N-acetyltransferase activity
Biological Process
GO:0009635 response to herbicide
GO:0046677 response to antibiotic

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Molecular Function
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Biological Process
External links
PDB RCSB:5t7e, PDBe:5t7e, PDBj:5t7e
PDBsum5t7e
PubMed29180815
UniProtP16426|PAT_STRHY Phosphinothricin N-acetyltransferase (Gene Name=bar)

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