Structure of PDB 6cwq Chain A Binding Site BS01

Receptor Information

>6cwq Chain A (length=308) Species: 376686 (Flavobacterium johnsoniae UW101)

GAMSIFDKRVNYKPFEYPEVLQFTEAINKAYWVHTEVDFTADTQDFHAHL
SLAEKTAVKNSLLAIAQIEVAVKSFWGNIYEHFPKPEFNGLGSTFAECEF
RHSEAYSRLLEVLGYNDEFEKLLDVPVIRRRVDYLSNVLKDTKSQDNRKY
MVSLILFSILIENVSLFSQFAILLSFTRFKGYMKNVSNIIAWTSIDEQIH
ANGGIYIINKIREEFPDYFDEETLALVRETVKDSIAVESDILDWIFEEGE
IESIKKGDLVNFMKFRIDESLKQINIPVIFDVKVEDYKALAWFEEEVFAN
SLDDFFAK

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: 6cwq Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6cwq Structural Basis for Superoxide Activation of Flavobacterium johnsoniae Class I Ribonucleotide Reductase and for Radical Initiation by Its Dimanganese Cofactor.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): E67 E97 H100 E195
• Binding residue (residue number reindexed from 1): E69 E99 H102 E197
• Annotation score: 1

Enzymatic activity

• 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:0016020 membrane

External links

• PDB: RCSB:6cwq, PDBe:6cwq, PDBj:6cwq
• PDBsum: 6cwq
• PubMed: 29609464
• UniProt: A5FCJ5