Structure of PDB 4fbk Chain A Binding Site BS01

Receptor Information

>4fbk Chain A (length=424) Species: 284812 (Schizosaccharomyces pombe 972h-)

DDKAFEENRRLRNLGSVEYIRIRKNFKKFQKSENTIRILISSDPHVGYGE
KDPVRGNDSFVSFNEILEIARERDVDMILLGGDIFHDNKPSRKALYQALR
SLRLNCLGDKPCELELLSDTDTAVCNINYLDPNINVAIPVFSIHGNHDDP
SGRYSALDILQVTGLVNYFGRVPENDNIVVSPILLQKGFTKLALYGISNV
RDERLYHSFRENKVKFLRPDLYRDEWFNLLTVHQNHSAHTPTSYLPESFI
QDFYDFVLWGHEHECLIDGSYNPTQKFTVVQPGSTIATSLSPGETAPKHC
GILNITGKDFHLEKIRLRTVRPFIMKDIILSEVSSIPPMVENKKEVLTYL
ISKVEEAITEANAQWYEAQGTVPVVENEKPPLPLIRLRVDYTGGYQTENP
QRFSNRFVGRVANATDVVQFYLKK

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: 4fbk Chain A Residue 1504

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4fbk Structure of Mre11-Nbs1 complex yields insights into ataxia-telangiectasia-like disease mutations and DNA damage signaling.
• Resolution: 2.379 Å
• Binding residue (original residue number in PDB): D1025 H1027 D1065 H1250 H1252
• Binding residue (residue number reindexed from 1): D43 H45 D83 H261 H263
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number:
  3.1.-.-

Gene Ontology

Molecular Function

• GO:0004519 endonuclease activity
• GO:0004520 DNA endonuclease activity
• GO:0008296 3'-5'-DNA exonuclease activity
• GO:0016787 hydrolase activity
• GO:0030145 manganese ion binding

Biological Process

• GO:0006302 double-strand break repair

Cellular Component

• GO:0005634 nucleus
• GO:0030870 Mre11 complex

External links

• PDB: RCSB:4fbk, PDBe:4fbk, PDBj:4fbk
• PDBsum: 4fbk
• PubMed: 22705791
• UniProt: O43070|NBS1_SCHPO DNA repair and telomere maintenance protein nbs1 (Gene Name=nbs1);
  Q09683|RAD32_SCHPO Double-strand break repair protein rad32 (Gene Name=rad32)