Structure of PDB 4egr Chain D Binding Site BS01

Receptor Information
>4egr Chain D (length=434) Species: 777 (Coxiella burnetii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAMDYQTIPSQGLSGEICVPGDKSISHRAVLLAAIAEGQTQVDGFLMGAD
NLAMVSALQQMGASIQVIEDENILVVEGVGMTGLQAPPEALDCGNSGTAI
RLLSGLLAGQPFNTVLTGDSSLQRRPMKRIIDPLTLMGAKIDSTGNVPPL
KIYGNPRLTGIHYQLPMASAQVKSCLLLAGLYARGKTCITEPAPSRDHTE
RLLKHFHYTLQKQSICVSGGGKLKANDISIPGDISSAAFFIVAATITPGS
AIRLCRVGVNPTRLGVINLLKMMGADIEVTHYTEKEPTADITVRHARLKG
IDIPPDQVPLTIDEFPVLLIAAAVAQGKTVLRDAAELRVKETDRIAAMVD
GLQKLGIAAESLPDGVIIQGGTLEGGEVNSYDDHRIAMAFAVAGTLAKGP
VRIRNCDNVKTSFPNFVELANEVGMNVKGVRGRG
Ligand information
Ligand IDPEP
InChIInChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChIKeyDTBNBXWJWCWCIK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=C(C(=O)O)OP(=O)(O)O
CACTVS 3.341OC(=O)C(=C)O[P](O)(O)=O
ACDLabs 10.04O=C(O)C(\OP(=O)(O)O)=C
FormulaC3 H5 O6 P
NamePHOSPHOENOLPYRUVATE
ChEMBLCHEMBL1235228
DrugBankDB01819
ZINCZINC000003870145
PDB chain4egr Chain D Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4egr 2.50 angstrom resolution structure of 3-phosphoshikimate 1-carboxyvinyltransferase (AroA) from Coxiella burnetii in complex with phosphoenolpyruvate
Resolution2.5 Å
Binding residue
(original residue number in PDB)		K21 G95 T96 R123 D315 E343 R346 R387
Binding residue
(residue number reindexed from 1)		K23 G97 T98 R125 D313 E341 R344 R385
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K21 S22 D48 N93 R123 D315 E343 H386 R387 T413
Catalytic site (residue number reindexed from 1) K23 S24 D50 N95 R125 D313 E341 H384 R385 T411
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4egr, PDBe:4egr, PDBj:4egr
PDBsum4egr
PubMed
UniProtQ83E11|AROA_COXBU 3-phosphoshikimate 1-carboxyvinyltransferase (Gene Name=aroA)

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