Structure of PDB 4ixx Chain A Binding Site BS01

Receptor Information

>4ixx Chain A (length=340) Species: 122586 (Neisseria meningitidis MC58)

KIKEVKELLPPIAHLYELPISKEASGLVHRTRQEISDLVHGRDKRLLVII
GPCSIHDPKAALEYAERLLKLRKQYENELLIVMRVYFEKPRTTVGWKGLI
NDPHLDGTFDINFGLRQARSLLLSLNNMGMPASTEFLDMITPQYYADLIS
WGAIGARTTESQVHRELASGLSCPVGFKNGTDGNLKIAIDAIGAASHSHH
FLGVTKAGHSAIVHTGGNPDCHVILRGGKEPNYDAEHVSEAAEQLRAAGV
TDKLMIDCSHANSRKDYTRQMEVAQDIAAQLEQDGGNIMGVMVESHLVEG
RQDKPEVYGKSITDACIGWGATEELLALLAGANKKRMARA

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 4ixx Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ixx Neisseria meningitidis expresses a single 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase that is inhibited primarily by phenylalanine.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): C63 H270 E304 D324
• Binding residue (residue number reindexed from 1): C53 H260 E294 D314
• 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:4ixx, PDBe:4ixx, PDBj:4ixx
• PDBsum: 4ixx
• PubMed: 23754471
• UniProt: Q9K169