Structure of PDB 4bmu Chain B Binding Site BS01

Receptor Information

>4bmu Chain B (length=287) Species: 1396 (Bacillus cereus)

MRAVNWNKKEDDFSLMFWKQNIAQFWTEEEIAVSSDKNTWVQLSKEEQIA
YKRVLGGLTLLDTKQGGEGMPLVLVHLENLQAKSVLAFMGAMEEVHAKSY
SHIFTTLATEEEIDDIFDWVDNHPLLEKKAGIITSYYRRLLKPEVTKKEL
YMAMVASVFLESYLFYSGFFYPLYLAGQGKLTASGEIINLIIRDESIHGV
FVGILAQQIFAELSAEEQQEVQKETQELLMELYEIEMAYTEEIYTSIGLV
EDVNRFVRYNANKGLMNLGLEPKFEEEEINPIVLNGL

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: 4bmu Chain B Residue 1323

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4bmu Crystal Structure of Bacillus Cereus Class Ib Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi.
• Resolution: 1.9 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

• Catalytic site (original residue number in PDB): Y100 D194
• Catalytic site (residue number reindexed from 1): Y100 D194
• 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:4bmu, PDBe:4bmu, PDBj:4bmu
• PDBsum: 4bmu
• PubMed: 24295378
• UniProt: Q81G55