Structure of PDB 4yke Chain B Binding Site BS01

Receptor Information

>4yke Chain B (length=405) Species: 759272 (Thermochaetoides thermophila DSM 1495)

TAGPDTIRILVSTDNHVGYEERDPIRKDDSWRTFDEIMQLARTKDVDMVL
LGGDLFHDNKPSRKAMYQVMRSLRKNCLGMKPCELEFLSDPAEVFEGAFP
HVNYYDPDINVSIPVFSIHGNHDDPSGDGHLCSLDLLQVAGLVNYFGRVP
EADNIHVKPILLQKGKTKLALYGMSNVRDERIHRTFRDNKVRFYRPSQQT
GDWFNLLTLHQNHYAHTPTGYLSENMLPDFLDLVIWGHEHECLIDPKKNP
ETGFHVMQPGSSIATSLVPGEAVPKHIAILSITGKSFEVEKIPLRTVRPF
VIREITLATDKRFKGLEKKQDNRQEVTKRLMQIVEEMIAEANEMWRSLHE
DSQDDQPLPLIRLKVEYSSPEGTKFEVENPQRFSNRFAGKVANQNDVVHF
YRKKT

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: 4yke Chain B Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4yke Structure of the catalytic domain of Mre11 from Chaetomium thermophilum.
• Resolution: 2.783 Å
• Binding residue (original residue number in PDB): D17 H19 D57 H243
• Binding residue (residue number reindexed from 1): D14 H16 D54 H240
• 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:4yke, PDBe:4yke, PDBj:4yke
• PDBsum: 4yke
• PubMed: 26057807
• UniProt: G0RYR3|MRE11_CHATD Double-strand break repair protein MRE11 (Gene Name=MRE11)