MolNFT v1 · #145337 · protein

Structure of CDK12/CYCK in complex with a small molecule inhibitor N- (4-(1-methyl-1H-pyrazol-4-YL)PHENYL)-N-((1R,4R)-4-(quinazolin-2- YLAMINO)CYCLOHEXYL)ACETAMIDE

6CKX: “Structure of CDK12/CYCK in complex with a small molecule inhibitor N…”. X-ray diffraction, 2 ligands (8M1, MG). MolNFT v1 #145337 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6CKX
Type: protein
Length: 1,062 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q9NYV4, O75909
Ligands: 8M1, MG

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	—	protein	293	—	Q9NYV4
B, D	—	protein	238	—	O75909

Ligands and binding sites

8M1 · N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide · ligand · 2 copies · chains A, C
MG · Magnesium ion · metal · 3 copies · chains A, B, C

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

Compared structures

6CKX · Structure of CDK12/CycK in complex with a small molecule inhibitor… · the same entry in another collection · chain D against D, TM-score 1.00
Q9NYV4 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 12 (Q9NYV4) · a predicted model of the same protein · chain A against A, TM-score 0.99
O75909 · AlphaFold monomer V2.0 prediction for cyclin-K (O75909) · a predicted model of the same protein · chain D against A, TM-score 0.98

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 Q9NYV4
Every structure of UniProt O75909
Elsewhere: RCSB PDB 6CKX · PDBe 6CKX · UniProt Q9NYV4 · UniProt O75909

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