MolNFT v1 · #186968 · protein

Crystal structure of CDK2 in complex with TW8672

7RWF · Cyclin-dependent kinase 2: “Crystal structure of CDK2 in complex with TW8672”. X-ray diffraction, 1 ligand (7TW), 2 pockets (best druggability 0.78). MolNFT v1 #186968 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7RWF
Type: protein
Length: 299 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: 7TW
Pockets: 2 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cyclin-dependent kinase 2 (EC 2.7.11.22)	protein	299	33% helix, 16% strand	P24941

Ligands and binding sites

7TW · 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid · ligand · chains A
EDO · 1,2-ethanediol · additive · 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	513	0.78	0.85	60	7TW
2	57	0.27	0.73	14	empty

Compared structures

7RWF · Crystal structure of CDK2 in complex with TW8672 · 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 7RWF · PDBe 7RWF · UniProt P24941

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