Crystal structure of human CDK9/CYCLINT1 in complex with MC180295

Structure

x-ray diffraction · 2 distinct chains.

Ligands and binding sites

• TO7 · (4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone · ligand · 2 copies · chains A
• TOJ · (4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone · ligand · 2 copies · chains A
• PO4 · Phosphate ion · ion · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

• 6W9E · Crystal Structure of Human CDK9/cyclinT1 in complex with MC180295 · the same entry in another collection · chain A against A, TM-score 1.00
• O60563 · AlphaFold monomer V2.0 prediction for cyclin-T1 (O60563) · a predicted model of the same protein · chain B against A, TM-score 0.98
• P50750 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 9 (P50750) · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P50750
• Every structure of UniProt O60563
• Elsewhere: RCSB PDB 6W9E · PDBe 6W9E · UniProt P50750 · UniProt O60563