MolNFT v1 · #161119 · protein

CDK2 in complex with FRAGLITE13

6Q4B · Cyclin-dependent kinase 2: “CDK2 in complex with FRAGLITE13”. X-ray diffraction, 1 ligand (HHN), 3 pockets (best druggability 0.71). MolNFT v1 #161119 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6Q4B
Type: protein
Length: 291 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cyclin-dependent kinase 2
EC: 2.7.11.22
UniProt: P24941
Ligands: HHN
Pockets: 3 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cyclin-dependent kinase 2 (EC 2.7.11.22)	protein	291	35% helix, 16% strand	P24941

Ligands and binding sites

HHN · 5-bromanylpyrimidine · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	363	0.71	0.83	54	HHN
2	58	0.45	0.83	17	empty
3	54	0.33	0.77	10	empty

Compared structures

6Q4B · CDK2 in complex with FragLite13 · the same entry in another collection · chain A against A, TM-score 1.00
P24941 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 2 (P24941) · a predicted model of the same protein · chain A against A, TM-score 0.94

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 P24941
Elsewhere: RCSB PDB 6Q4B · PDBe 6Q4B · UniProt P24941

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.