MolNFT v1 · #31755 · protein

Human cyclin dependent kinase 2 (CKD2)COMPLEXED with din- 232305

2B54 · Cell division protein kinase 2: “Human cyclin dependent kinase 2 (CKD2)COMPLEXED with din- 232305”. X-ray diffraction, 1 ligand (D05), 2 pockets (best druggability 0.59). MolNFT v1 #31755 on GenesisL1: 3D structure, binding sites…

PDB: 2B54
Type: protein
Length: 298 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cell division protein kinase 2
EC: 2.7.1.37
UniProt: P24941
Ligands: D05
Pockets: 2 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cell division protein kinase 2 (EC 2.7.1.37)	protein	298	34% helix, 16% strand	P24941

Ligands and binding sites

D05 · 6-(3,4-dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one · ligand · chains A

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

Pockets

2 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	227	0.59	0.80	28	D05
2	59	0.33	0.77	12	empty

Compared structures

2B54 · Human cyclin dependent kinase 2 (CKD2)complexed with DIN-232305 · 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 2B54 · PDBe 2B54 · UniProt P24941

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