MolNFT v1 · #31754 · protein

Human cyclin dependent kinase 2 (CDK2) complexed with din- 234325

2B53 · Cell division protein kinase 2: “Human cyclin dependent kinase 2 (CDK2) complexed with din- 234325”. X-ray diffraction, 1 ligand (D23), 2 pockets (best druggability 0.67). MolNFT v1 #31754 on GenesisL1: 3D structure, binding sites…

PDB: 2B53
Type: protein
Length: 294 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: D23
Pockets: 2 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cell division protein kinase 2 (EC 2.7.1.37)	protein	294	34% helix, 17% strand	P24941

Ligands and binding sites

D23 · 6-(3-aminophenyl)-N-(tert-butyl)-2-(trifluoromethyl)quinazolin-4-amine · 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	308	0.67	0.82	30	D23
2	62	0.28	0.73	14	empty

Compared structures

2B53 · Human cyclin dependent kinase 2 (CDK2) complexed with DIN-234325 · 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 2B53 · PDBe 2B53 · UniProt P24941

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