Structure of PDB 5d03 Chain A Binding Site BS02

Receptor Information
>5d03 Chain A (length=333) Species: 122586 (Neisseria meningitidis MC58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELLPPIAHLYELPISKEASGLVHRTRQEISDLVHGRDKRLLVIIGPCSIH
DPKAALEYAERLLKLRKQYENELLIVMRVYFEKPRTTVGWKGLINDPHLD
GTFDINFGLRQARSLLLSLNNMGMPASTEFLDMITPQYYADLISWGAIGA
RTTESQVHRELASGLSCPVGFKNGTDGNLKIAIDAIGAASHSHHFLSVTK
AGHSAIAHTGGNPDCHVILRGGKEPNYDAEHVSEAAEQLRAAGVTDKLMI
DCSHANSRKDYTRQMEVAQDIAAQLEQDGGNIMGVMVESHLVEGRQDKPE
VYGKSITDACIGWGATEELLALLAGANKKRMAR
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 chain5d03 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5d03 Neisseria meningitidis 3 deoxy-D-arabino-heptulosonate 7-phosphate synthase Val223Ala variant at 1.84 Angstroms resolution
Resolution1.84 Å
Binding residue
(original residue number in PDB)		R94 G165 A166 K188 R236 H270
Binding residue
(residue number reindexed from 1)		R78 G149 A150 K172 R220 H254
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:5d03, PDBe:5d03, PDBj:5d03
PDBsum5d03
PubMed
UniProtQ9K169

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