Structure of PDB 5d09 Chain A Binding Site BS02

Receptor Information
>5d09 Chain A (length=334) Species: 122586 (Neisseria meningitidis MC58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KELLPPIAHLYELPISKEASGLVHRTRQEISDLVHGRDKRLLVIIGPCSI
HDPKAALEYAERLLKLRKQYENELLIVMRVYFEKPRTTVGWKGLINDPHL
DGTFDINFGLRQARSLLLSLNNMGMPASTEFLDMITPQYYADLISWGAIG
ARTTESQVHRELASGLSCPVGFKNGTDGNLKIAIDAIGAASHSHHALSVT
KAGHSAIVHTGGNPDCHVILRGGKEPNYDAEHVSEAAEQLRAAGVTDKLM
IDCSHANSRKDYTRQMEVAQDIAAQLEQDGGNIMGVMVESHLVEGRQDKP
EVYGKSITDACIGWGATEELLALLAGANKKRMAR
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 chain5d09 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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PDB5d09 Neisseria meningitidis 3 deoxy-D-arabino-heptulosonate 7-phosphate synthase Phe211Ala variant at 2.35 Angstroms resolution
Resolution2.35 Å
Binding residue
(original residue number in PDB)		R94 Y96 R167 K188 R236 H270
Binding residue
(residue number reindexed from 1)		R79 Y81 R152 K173 R221 H255
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:5d09, PDBe:5d09, PDBj:5d09
PDBsum5d09
PubMed
UniProtQ9K169

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