MolNFT v1 · #75689 · protein

Apo CDK2 crystallized from jeffamine

3PXR · Cell division protein kinase 2: “Apo CDK2 crystallized from jeffamine”. X-ray diffraction, 3 pockets (best druggability 0.71). MolNFT v1 #75689 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3PXR
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: 2.7.11.22
UniProt: P24941
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	Cell division protein kinase 2 (EC 2.7.11.22)	protein	294	35% helix, 16% strand	P24941

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 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	317	0.71	0.84	38	empty
2	84	0.39	0.77	17	empty
3	50	0.28	0.75	12	empty

Compared structures

3PXR · Apo CDK2 crystallized from Jeffamine · 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 3PXR · PDBe 3PXR · UniProt P24941

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