Structure of PDB 5dcd Chain D Binding Site BS02

Receptor Information

>5dcd Chain D (length=346) Species: 122586 (Neisseria meningitidis MC58)

HYPTDDIKIKEVKELLPPIAHLYELPISKEASGLVHRTRQEISDLVHGRD
KRLLVIIGPCSIHDPKAALEYAERLLKLRKQYENELLIVMRVYFEKPRTT
VGWKGLINDPHLDGTFDINFGLRQARSLLLSLNNMGMPASTEFLDMITPQ
YYADLISWGAIGARTTESQVHRELASGLSCPVGFKNGTDGNLKIAIDAIG
AASHSHHFLSVTKAGHSAIVHTGGNPDCHVILRGGKEPNYDAEHVSEAAE
QLRAAGVTDKLMIDCSHANSRKDYTRQMEVAQDIAAQLEQDGGNIMGVMV
ESHLVEGRQDKPEVYGKSITDACIGWGATEELLALLAGANKKRMAR

Ligand information

• Ligand ID: TMO
• InChI: InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
• InChIKey: UYPYRKYUKCHHIB-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.370
  OpenEye OEToolkits 1.7.0: C[N+](C)(C)[O-]
  ACDLabs 12.01: [O-][N+](C)(C)C
• Formula: C3 H9 N O
• Name: trimethylamine oxide
• ZINC: ZINC000000895494
• PDB chain: 5dcd Chain D Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5dcd Structure of Neisseria meningitidis 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase regulated and complexed with PEP at 2.05 Angstroms
• Resolution: 2.31 Å
• Binding residue (original residue number in PDB): A166 K188 R236
• Binding residue (residue number reindexed from 1): A163 K185 R233
• Annotation score: 1

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

External links

• PDB: RCSB:5dcd, PDBe:5dcd, PDBj:5dcd
• PDBsum: 5dcd
• UniProt: Q9K169