Structure of PDB 4hsn Chain C Binding Site BS02

Receptor Information
>4hsn Chain C (length=341) Species: 122586 (Neisseria meningitidis MC58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKIKEVKELLPPIAHLYELPISKEASGLVHRTRQEISDLVHGRDKRLLVI
IGPCSIHDPKAALEYAERLLKLRKQYENELLIVMRVYFEKPRTTVGWKGL
INDPHLDGTFDINFGLRQARSLLLSLNNMGMPASTEFLDMITPQYYADLI
SWGAIGARTTESQVHRELASGLSCPVGFKNGTDGNLKIAIDAIGAASHSH
HFLSVTKAGHSAIVHTGGNPDCHVILRGGKEPNYDAEHVSEAAEQLRAAG
VTDKLMIDCSHANSRKDYTRQMEVAQDIAAQLEQDGGNIMGVMVESHLVE
GRQDKPEVYGKSITDACIGWGATEELLALLAGANKKRMARA
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 chain4hsn Chain C Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hsn Neisseria meningitidis expresses a single 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase that is inhibited primarily by phenylalanine.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R94 A166 R167 K188 R236 H270
Binding residue
(residue number reindexed from 1)		R85 A157 R158 K179 R227 H261
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.54: 3-deoxy-7-phosphoheptulonate synthase.
Gene Ontology
Molecular Function
GO:0003849 3-deoxy-7-phosphoheptulonate synthase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009058 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:4hsn, PDBe:4hsn, PDBj:4hsn
PDBsum4hsn
PubMed23754471
UniProtQ9K169

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