Structure of PDB 4uc5 Chain D Binding Site BS01

Receptor Information

>4uc5 Chain D (length=347) Species: 487 (Neisseria meningitidis)

HHYPTDDIKIKEVKELLPPIAHLYELPISKEASGLVHRTRQEISDLVHGR
DKRLLVIIGPCSIHDPKAALEYAERLLKLRKQYENELLIVMRVYFEKPRT
TVGWKGLINDPHLDGTFDINFGLRQARSLLLSLNNMGMPASTEFLDMITP
QYYADLISWGAIGARTTESQVHRELASGLSCPVGFKNGTDGNLKIAIDAI
GAASHSHHFLSVTKAGHSAIVHTGGNPDCHVILRGGKEPNYDAEHVSEAA
EQLRAAGVTDKLMIDCSHANSRKDYTRQMEVAQDIAAQLEQDGGNIMGVM
VESHLVEGRQDKPEVYGKSITDACIGWGATEELLALLAGANKKRMAR

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: 4uc5 Chain D Residue 1350

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4uc5 Calculated Pka Variations Expose Dynamic Allosteric Communication Networks.
• Resolution: 2.19 Å
• Binding residue (original residue number in PDB): C63 H270 E304 D324
• Binding residue (residue number reindexed from 1): C61 H268 E302 D322
• 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:4uc5, PDBe:4uc5, PDBj:4uc5
• PDBsum: 4uc5
• PubMed: 26794122
• UniProt: Q9K169