Structure of PDB 3mjo Chain A Binding Site BS02

Receptor Information

>3mjo Chain A (length=296) Species: 1697 (Corynebacterium ammoniagenes)

SNEYDEYIANHTDPVKAINWNVIPDEKDLEVWDRLTGNFWLPEKIPVSND
IQSWNKMTPQEQLATMRVFTGLTLLDTIQGTVGAISLLPDAETMHEEAVY
TNIAFMESVHAKSYSNIFMTLASTPQINEAFRWSEENENLQRKAKIIMSY
YNGDDPLKKKVASTLLESFLFYSGFYLPMYLSSRAKLTNTADIIRLIIRD
ESVHGYYIGYKYQQGVKKLSEAEQEEYKAYTFDLMYDLYENEIEYTEDIY
DDLGWTEDVKRFLRYNANKALNNLGYEGLFPTDETKVSPAILSSLS

Ligand information

• Ligand ID: MN3
• InChI: InChI=1S/Mn/q+3
• InChIKey: MMIPFLVOWGHZQD-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Mn+3]
• Formula: Mn
• Name: MANGANESE (III) ION
• PDB chain: 3mjo Chain A Residue 1002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3mjo A Tyrosyl-Dimanganese Coupled Spin System is the Native Metalloradical Cofactor of the R2F Subunit of the Ribonucleotide Reductase of Corynebacterium ammoniagenes.
• Resolution: 1.36 Å
• Binding residue (original residue number in PDB): E108 E168 E202 H205
• Binding residue (residue number reindexed from 1): E107 E167 E201 H204
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y115 D201
• Catalytic site (residue number reindexed from 1): Y114 D200
• 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:3mjo, PDBe:3mjo, PDBj:3mjo
• PDBsum: 3mjo
• PubMed: 20698687
• UniProt: O69274