Structure of PDB 1mu7 Chain B Binding Site BS01

Receptor Information

>1mu7 Chain B (length=434) Species: 9606 (Homo sapiens)

LDKGNPFQFYLTRVSGVKPKYNSGALHIKDILSPLFGTLVSSAQFNYCFD
VDWLVKQYPPEFRKKPILLVHGDKREAKAHLHAQAKPYENISLCQAKLDI
AFGTHHTKMMLLLYEEGLRVVIHTSNLIHADWHQKTQGIWLSPLYPRIAD
GTHKSGESPTHFKANLISYLTAYNAPSLKEWIDVIHKHDLSETNVYLIGS
TPGRFQGSQKDNWGHFRLKKLLKDHASSMPNAESWPVVGQFSSVGSLGAD
ESKWLCSEFKESMLTLGSVPLYLIYPSVENVRTSLEGYPAGGSLPYSIQT
AEKQNWLHSYFHKWSAETSGRSNAMPHIKTYMRPSPDFSKIAWFLVTSAN
LSKAAWGALEKNGTQLMIRSYELGVLFLPSALGLDSFKVKQKFATFPVPY
DLPPELYGSKDRPWIWNIPYVKAPDTHGNMWVPS

Ligand information

• Ligand ID: WO4
• InChI: InChI=1S/4O.W/q;;2*-1;
• InChIKey: PBYZMCDFOULPGH-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-][W](=O)(=O)[O-]
  ACDLabs 10.04
  CACTVS 3.341: [O-][W]([O-])(=O)=O
• Formula: O4 W
• Name: TUNGSTATE(VI)ION
• PDB chain: 1mu7 Chain B Residue 609

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1mu7 Insights Into Substrate Binding and Catalytic Mechanism of Human Tyrosyl-DNA Phosphodiesterase (Tdp1) from Vanadate- and Tungstate-Inhibited Structures
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H263 K265 H493 K495
• Binding residue (residue number reindexed from 1): H106 K108 H327 K329
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.4.-

Gene Ontology

Molecular Function

• GO:0008081 phosphoric diester hydrolase activity

Biological Process

• GO:0006281 DNA repair

Cellular Component

• GO:0005634 nucleus

External links

• PDB: RCSB:1mu7, PDBe:1mu7, PDBj:1mu7
• PDBsum: 1mu7
• PubMed: 12470949
• UniProt: Q9NUW8|TYDP1_HUMAN Tyrosyl-DNA phosphodiesterase 1 (Gene Name=TDP1)