MolNFT v1 · #49328 · protein

Cryptosporidium parvum cyclin-dependent kinase CGD5_2510 with indirubin 3'-monoxime bound

2QKR · CDC2-like CDK2/CDC28 like protein kinase: “Cryptosporidium parvum cyclin-dependent kinase CGD5_2510 with indirubin 3'-monoxime bound”. X-ray diffraction, 1 ligand (IXM), 4 pockets (best druggability 0.66). MolNFT v1 #49328 on…

PDB: 2QKR
Type: protein
Length: 273 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CDC2-like CDK2/CDC28 like protein kinase
EC: 2.7.11.22
UniProt: Q5CRJ8
Ligands: IXM
Pockets: 4 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	CDC2-like CDK2/CDC28 like protein kinase (EC 2.7.11.22)	protein	273	37% helix, 15% strand	Q5CRJ8

Ligands and binding sites

IXM · (Z)-1H,1'H-[2,3']biindolylidene-3,2'-dione-3-oxime · ligand · chains A

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

Pockets

4 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	335	0.66	0.80	36	IXM
2	76	0.42	0.80	19	empty
3	79	0.31	0.73	17	empty
4	51	0.29	0.75	13	empty

Compared structures

2QKR · Cryptosporidium parvum cyclin-dependent kinase cgd5_2510 with indirubin 3'-monoxime bound · the same entry in another collection · chain A against A, TM-score 1.00

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 Q5CRJ8
Elsewhere: RCSB PDB 2QKR · PDBe 2QKR · UniProt Q5CRJ8

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