MolNFT v1 · #86033 · protein

Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6)

4AUA · Cyclin-dependent kinase 6: “Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6)”. X-ray diffraction, 1 ligand (4AU), 1 pocket (best druggability 0.62). MolNFT v1 #86033 on GenesisL1: 3D structure, binding sites and…

PDB: 4AUA
Type: protein
Length: 256 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cyclin-dependent kinase 6
EC: 2.7.11.22
UniProt: Q00534
Ligands: 4AU
Pockets: 1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cyclin-dependent kinase 6 (EC 2.7.11.22)	protein	256	40% helix, 16% strand	Q00534

Ligands and binding sites

4AU · 1H-benzimidazol-2-yl(1H-pyrrol-2-yl)methanone · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	252	0.62	0.81	40	4AU

Compared structures

4AUA · Liganded X-ray crystal structure of cyclin dependent kinase 6 (CDK6) · the same entry in another collection · chain A against A, TM-score 1.00
Q00534 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 6 (Q00534) · a predicted model of the same protein · chain A 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 Q00534
Elsewhere: RCSB PDB 4AUA · PDBe 4AUA · UniProt Q00534

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