Structure of PDB 4umc Chain D Binding Site BS01

Receptor Information

>4umc Chain D (length=333) Species: 122586 (Neisseria meningitidis MC58)

ELLPPIAHLYELPISKEASGLVHRTRQEISDLVHGRDKRLLVIIGPCSIH
DPKAALEYAERLLKLRKQYENELLIVMRVYFEKPRTTVGWKGLINDPHLD
GTFDINFGLRQARSLLLSLNNMGMPASTEFLDMITPQYYADLISWGAIGA
RTTESQVHRELASGLSCPVGFKNGTDGNLKIAIDAIGAASHSHHFLSVTK
AGHSAIVHTGGNPDCHVILRGGKEPNYDAEHVSEAAEQLRAAGVTDKLMI
DCSHANSRKDYTRQMEVAQDIAAQLEQDGGNIMGVMVESHLVEGRQDKPE
VYGKSITDACIGWGATEELLALLAGANKKRMAR

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: 4umc Chain D Residue 1350

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4umc Structural Analysis of Substrate-Mimicking Inhibitors in Complex with Neisseria Meningitidis 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase - the Importance of Accommodating the Active Site Water.
• Resolution: 2.34 Å
• Binding residue (original residue number in PDB): C63 H270 E304 D324
• Binding residue (residue number reindexed from 1): C47 H254 E288 D308
• 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:4umc, PDBe:4umc, PDBj:4umc
• PDBsum: 4umc
• PubMed: 25245459
• UniProt: Q9K169