Research workbench

Crystal structure of human CDK13/CYCLIN K in complex with the inhibitor THZ531

Analyse Crystal structure of human CDK13/CYCLIN K in complex with the inhibitor THZ531 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7NXJ
Type: protein
Length: 1,139 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q14004, O75909
Ligands: 5I1

Structure

x-ray diffraction · 4 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	325	—	Q14004
B	—	protein	244	—	O75909
C	—	protein	323	—	Q14004
D	—	protein	247	—	O75909

Ligands and binding sites

5I1 · N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide · ligand · 2 copies · chains A, C

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

Compared structures

7NXJ · Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531 · the same entry in another collection · chain D against D, TM-score 1.00
O75909 · AlphaFold monomer V2.0 prediction for cyclin-K (O75909) · a predicted model of the same protein · chain B against A, TM-score 0.98
Q14004 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 13 (Q14004) · a predicted model of the same protein · chain C 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 Q14004
Every structure of UniProt O75909
Elsewhere: RCSB PDB 7NXJ · PDBe 7NXJ · UniProt Q14004 · UniProt O75909

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