Structure of PDB 1qzg Chain B Binding Site BS02

Receptor Information

>1qzg Chain B (length=170) Species: 4896 (Schizosaccharomyces pombe)

VIDSLQLNELLNAGEYKIGELTFQSIRSSQELQKKNTIVNLFGIVKDFTP
SRQSLHGTKDWVTTVYLWDPTCDTSSIGLQIHLFSKQGNDLPVIKQVGQP
LLLHQITLRSYRDRTQGLSKDQFRYALWPDFSSNSKDTLCPQPMPRLMKT
GDKEEQFALLLNKIWDEQTN

Ligand information

• Ligand ID: TMP
• InChI: InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
• InChIKey: GYOZYWVXFNDGLU-XLPZGREQSA-N
• SMILES:
  CACTVS 3.341: CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
  OpenEye OEToolkits 1.5.0: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O
  OpenEye OEToolkits 1.5.0: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
  CACTVS 3.341: CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
  ACDLabs 10.04: O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COP(=O)(O)O
• Formula: C10 H15 N2 O8 P
• Name: THYMIDINE-5'-PHOSPHATE
• ChEMBL: CHEMBL394429
• DrugBank: DB01643
• ZINC: ZINC000001678872
• PDB chain: 1qzg Chain B Residue 281

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1qzg DNA self-recognition in the structure of Pot1 bound to telomeric single-stranded DNA
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): R113 Y115 Q120
• Binding residue (residue number reindexed from 1): R109 Y111 Q116
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0043047 single-stranded telomeric DNA binding

Biological Process

• GO:0000723 telomere maintenance

Cellular Component

• GO:0000781 chromosome, telomeric region

External links

• PDB: RCSB:1qzg, PDBe:1qzg, PDBj:1qzg
• PDBsum: 1qzg
• PubMed: 14614509
• UniProt: O13988|POT1_SCHPO Protection of telomeres protein 1 (Gene Name=pot1)