Structure of PDB 1kgp Chain B Binding Site BS01

Receptor Information

>1kgp Chain B (length=296) Species: 1697 (Corynebacterium ammoniagenes)

SNEYDEYIANHTDPVKAINWNVIPDEKDLEVWDRLTGNFWLPEKIPVSND
IQSWNKMTPQEQLATMRVFTGLTLLDTIQGTVGAISLLPDAETMHEEAVY
TNIAFMESVHAKSYSNIFMTLASTPQINEAFRWSEENENLQRKAKIIMSY
YNGDDPLKKKVASTLLESFLFYSGFYLPMYLSSRAKLTNTADIIRLIIRD
ESVHGYYIGYKYQQGVKKLSEAEQEEYKAYTFDLMYDLYENEIEYTEDIY
DDLGWTEDVKRFLRYNANKALNNLGYEGLFPTDETKVSPAILSSLS

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: 1kgp Chain B Residue 1003

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1kgp Crystal structure of the di-iron/radical protein of ribonucleotide reductase from Corynebacterium ammoniagenes.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D77 E108 H111 F172 E202
• Binding residue (residue number reindexed from 1): D76 E107 H110 F171 E201
• 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:1kgp, PDBe:1kgp, PDBj:1kgp
• PDBsum: 1kgp
• PubMed: 11802741
• UniProt: O69274