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Structure of PDB 7tm6 Chain A Binding Site BS02

Receptor Information
>7tm6 Chain A (length=426) Species: 1125630 (Klebsiella pneumoniae subsp. pneumoniae HS11286) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESLTLQPIARVEGTVNLPGSKSVSNRALLLAALARGTTVLTNLLDSDDVR
HMLNALSALGVQYTLSADRTRCEVTGNGGPLRSAAALELFLGNAGTAMRP
LAAALCLGSNDIVLTGEPRMKERPIGHLVDALRQGGAQIDCLEQENYPPL
RLRGGFQGGNVEVDGSVSSQFLTALLMTAPLAPQDTVIVIKGDLVSKPYI
DITLHLMKTFGVEVDNQSYQRFVVRGKQQYQSPGDYLVEGDASSASYFLA
AGAIKGGTVKVTGIGRNSVQGDIRFADVLEKMGATVTWGDDFIACTHGEL
KAVDMDMNHIPDAAMTIATAALFAQGTTTLRNIYNWRVKETDRLFAMATE
LRKVGAEVEEGEDYIRITPPAKLKYAEIGTYNDHRMAMCFSLVALSDTPV
TILDPKCTAKTFPDYFEQLARISTLA
Ligand information
Ligand IDGPJ
InChIInChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p+1
InChIKeyXDDAORKBJWWYJS-UHFFFAOYSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)[NH2+]CP(=O)(O)O
CACTVS 3.341OC(=O)C[NH2+]C[P](O)(O)=O
ACDLabs 10.04O=C(O)C[NH2+]CP(=O)(O)O
FormulaC3 H9 N O5 P
NameGLYPHOSATE
ChEMBL
DrugBankDB04539
ZINC
PDB chain7tm6 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7tm6 Crystal structure of shikimate-3-phosphate and glyphosate bound 3-phosphoshikimate 1-carboxyvinyltransferase from Klebsiella pneumoniae
Resolution1.26 Å
Binding residue
(original residue number in PDB)
K22 G96 R124 Q171 D313 E341 R344 H385 R386
Binding residue
(residue number reindexed from 1)
K21 G95 R123 Q170 D312 E340 R343 H384 R385
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.19: 3-phosphoshikimate 1-carboxyvinyltransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003866 3-phosphoshikimate 1-carboxyvinyltransferase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009073 aromatic amino acid family biosynthetic process
GO:0009423 chorismate biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Cellular Component
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