Structure of PDB 4n83 Chain E Binding Site BS02

Receptor Information

>4n83 Chain E (length=284) Species: 388919 (Streptococcus sanguinis SK36)

TYYKAINWNAIEDVIDKSTWEKLTEQFWLDTRIPLSNDLDDWRKLSHKEK
DLVGKVFGGLTLLDTLQSESGVDALRKDVRTAHEEAVFNNIQFMESVHAK
SYSSIFSTLNTKSEIDEIFAWTNTNPYLQKKAEIINEIYLNGTALEKKIA
SVFLETFLFYSGFFTPLYYLGNNKLANVAEIIKLIIRDESVHGTYIGYKF
QLAFNELPEDEQEKLKEWMYDLLYTLYENEEGYTESLYDTVGWTEEVKTF
LRYNANKALMNLGQDPLFPDSADDVNPIVMNGIS

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: 4n83 Chain E Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4n83 Streptococcus sanguinis Class Ib Ribonucleotide Reductase: HIGH ACTIVITY WITH BOTH IRON AND MANGANESE COFACTORS AND STRUCTURAL INSIGHTS.
• Resolution: 2.65 Å
• Binding residue (original residue number in PDB): D66 E97 H100 E157 E191
• Binding residue (residue number reindexed from 1): D64 E95 H98 E155 E189
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y104 D190
• Catalytic site (residue number reindexed from 1): Y102 D188
• Enzyme Commision number: 1.17.4.1: ribonucleoside-diphosphate reductase.

Gene Ontology

Molecular Function

• GO:0004748 ribonucleoside-diphosphate reductase activity, thioredoxin disulfide as acceptor
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009263 deoxyribonucleotide biosynthetic process

Cellular Component

• GO:0005971 ribonucleoside-diphosphate reductase complex

External links

• PDB: RCSB:4n83, PDBe:4n83, PDBj:4n83
• PDBsum: 4n83
• PubMed: 24381172
• UniProt: A3CLZ4