Structure of PDB 2bq1 Chain J Binding Site BS01

Receptor Information

>2bq1 Chain J (length=281)

ISAINWNKIQDDKDLEVWNRLTSNFWLPEKVPLSNDIPAWQTLSAAEQQL
TIRVFTGLTLLDTIQNIAGAPSLMADAITPHEEAVLSNISFMEAVHARSY
SSIFSTLCQTKEVDAAYAWSEENPPLQRKAQIILAHYVSDEPLKKKIASV
FLESFLFYSGFWLPMYFSSRGKLTNTADLIRLIIRDEAVHGYYIGYKYQI
ALQKLSAIEREELKLFALDLLMELYDNEIRYTEALYAETGWVNDVKAFLC
YNANKALMNLGYEALFPPEMADVNPAILAAL

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 2bq1 Chain J Residue 1287

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2bq1 The First Holocomplex Structure of Ribonucleotide Reductase Gives New Insight Into its Mechanism of Action
• Resolution: 3.99 Å
• Binding residue (original residue number in PDB): D67 E98 H101 E192
• Binding residue (residue number reindexed from 1): D62 E93 H96 E187
• 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

External links

• PDB: RCSB:2bq1, PDBe:2bq1, PDBj:2bq1
• PDBsum: 2bq1
• PubMed: 16631785
• UniProt: P17424|RIR4_SALTY Ribonucleoside-diphosphate reductase 2 subunit beta (Gene Name=nrdF)