Structure of PDB 5d02 Chain B Binding Site BS02

Receptor Information
>5d02 Chain B (length=335) Species: 122586 (Neisseria meningitidis MC58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKELLPPIAHLYELPISKEASGLVHRTRQEISDLVHGRDKRLLVIIGPCS
IHDPKAALEYAERLLKLRKQYENELLIVMRVYFEKPRTTVGWKGLINDPH
LDGTFDINFGLRQARSLLLSLNNMGMPASTEFLDMITPQYYADLISWGAI
GARTTESQVHRQLASGLSCPVGFKNGTDGNLKIAIDAIGAASHSHHFLSV
TKAGHSAIVHTGGNPDCHVILRGGKEPNYDAEHVSEAAEQLRAAGVTDKL
MIDCSHANSRKDYTRQMEVAQDIAAQLEQDGGNIMGVMVESHLVEGRQDK
PEVYGKSITDACIGWGATEELLALLAGANKKRMAR
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 chain5d02 Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5d02 Neisseria meningitidis 3 deoxy-D-arabino-heptulosonate 7-phosphate synthase Glu176Gln variant at 1.87 Angstroms resolution
Resolution1.87 Å
Binding residue
(original residue number in PDB)		R94 Y96 G165 A166 R167 K188 R236 H270
Binding residue
(residue number reindexed from 1)		R80 Y82 G151 A152 R153 K174 R222 H256
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:5d02, PDBe:5d02, PDBj:5d02
PDBsum5d02
PubMed
UniProtQ9K169

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