Structure of PDB 6qo7 Chain A Binding Site BS01

Receptor Information

>6qo7 Chain A (length=291) Species: 260799 (Bacillus anthracis str. Sterne)

MRAVNWNKKEDDFSLMFWKQNIAQFWTEEEIAVSSDKNTWVQLSKEEQIA
YKRVLGGLTLLDTKQGGEGMPLVLVHLENLQAKSVLAFMGAMEEVHAKSY
SHIFTTLATEEEIDEIFDWVDTHPLLEKKAGIITSYYRRLLKPEVTKKEL
YMAMVASVFLESYLFYSGFFYPLYLAGQGKLTASGEIINLIIRDESIHGV
FVGILAQQIFAELSAEDQQEVQKETQELLMELYEIEMAYTEEIYTSIGLV
EDVNRFVRYNANKGLMNLGLEPKFEINPIVLNGLRTNHDFF

Ligand information

• Ligand ID: FE2
• InChI: InChI=1S/Fe/q+2
• InChIKey: CWYNVVGOOAEACU-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Fe+2]
  CACTVS 3.341: [Fe++]
• Formula: Fe
• Name: FE (II) ION
• DrugBank: DB14510
• PDB chain: 6qo7 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6qo7 Redox-induced structural changes in the di-iron and di-manganese forms of Bacillus anthracis ribonucleotide reductase subunit NrdF suggest a mechanism for gating of radical access.
• Resolution: 1.628 Å
• Binding residue (original residue number in PDB): E93 E161 E195 H198
• Binding residue (residue number reindexed from 1): E93 E161 E195 H198
• 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:0005971 ribonucleoside-diphosphate reductase complex
• GO:0016020 membrane

External links

• PDB: RCSB:6qo7, PDBe:6qo7, PDBj:6qo7
• PDBsum: 6qo7
• PubMed: 31410573
• UniProt: Q81TB4