Structure of PDB 3t1i Chain D Binding Site BS02

Receptor Information

>3t1i Chain D (length=386) Species: 9606 (Homo sapiens)

DDENTFKILVATDIHLGFMEKDAVRGNDTFVTLDEILRLAQENEVDFILL
GGDLFHENKPSRKTLHTCLELLRKYCMGDRPVQFEILSDQSVNFGFSKFP
NLNISIPVFSIHGNHDDPTGADALCALDILSCAGFVNHFGRSMSVEKIDI
SPVLLQKGSTKIALYGLGSIPDERLYRMFVNKKVTMLRPKEDENSWFNLF
VIHQNRSKHGSTNFIPEQFLDDFIDLVIWGHEHECKIAPTKNEQQLFYIS
QPGSSVVTSLSPGEAVKKHVGLLRIKGRKMNMHKIPLHTVRQFFMEDIVL
ANHPDIFNPDNPKVTQAIQSFCLEKIEEMLENAERERLGNSHQPEKPLVR
LRVDYSGGFEPFSVLRFSQKFVDRVANPKDIIHFFR

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: 3t1i Chain D Residue 413

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3t1i Crystal structure of human mre11: understanding tumorigenic mutations
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): D60 N128 H217 H245
• Binding residue (residue number reindexed from 1): D53 N114 H203 H231
• 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:3t1i, PDBe:3t1i, PDBj:3t1i
• PDBsum: 3t1i
• PubMed: 22078559
• UniProt: P49959|MRE11_HUMAN Double-strand break repair protein MRE11 (Gene Name=MRE11)