Structure of PDB 7z3e Chain A Binding Site BS01

Receptor Information

>7z3e Chain A (length=298) Species: 226900 (Bacillus cereus ATCC 14579)

MRAVNWNKKEDDFSLMFWKQNIAQFWTEEEIAVSSDKNTWVQLSKEEQIA
YKRVLGGLTLLDTKQGGEGMPLVLVHLENLQAKSVLAFMGAMEEVHAKSY
SHIFTTLATEEEIDDIFDWVDNHPLLEKKAGIITSYYRRLLKPEVTKKEL
YMAMVASVFLESYLFYSGFFYPLYLAGQGKLTASGEIINLIIRDESIHGV
FVGILAQQIFAELSAEEQQEVQKETQELLMELYEIEMAYTEEIYTSIGLV
EDVNRFVRYNANKGLMNLGLEPKFEEEEINPIVLNGLRTDTKNHDFFS

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: 7z3e Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7z3e Redox-controlled reorganization and flavin strain within the ribonucleotide reductase R2b-NrdI complex monitored by serial femtosecond crystallography.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D62 E93 H96 E195
• Binding residue (residue number reindexed from 1): D62 E93 H96 E195
• 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:7z3e, PDBe:7z3e, PDBj:7z3e
• PDBsum: 7z3e
• PubMed: 36083619
• UniProt: Q81G55