Structure of PDB 5t7e Chain D Binding Site BS01

Receptor Information
>5t7e Chain D (length=175) Species: 1912 (Streptomyces hygroscopicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PADIRRATEADMPAVCTIVNHYIETSTVNFRTEPQEPQEWTDDLVRLRER
YPWLVAEVDGEVAGIAYAGPWKARNAYDWTAESTVYVSPRHQRTGLGSTL
YTHLLKSLEAQGFKSVVAVIGLPNDPSVRMHEALGYAPRGMLRAAGFKHG
NWHDVGFWQLDFSLPVPPRPVLPVT
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)		K78 R80 Y83
Binding residue
(residue number reindexed from 1)		K72 R74 Y77
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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