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Crystal structure of YCK2 from candida albicans in complex with kinase inhibitor GW461484A

Analyse Crystal structure of YCK2 from candida albicans in complex with kinase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6U6A
Type: protein
Length: 306 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SERINE/THREONINE protein kinase
UniProt: A0A1D8PKB4
Ligands: Q0J, SO4
Pockets: 3 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SERINE/THREONINE protein kinase	protein	306	36% helix, 15% strand	A0A1D8PKB4

Ligands and binding sites

Q0J · 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1, 5-a]pyridine · ligand · chains A
SO4 · Sulfate ion · ion · 2 copies · 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	289	0.65	0.81	35	Q0J
2	96	0.36	0.75	17	empty
3	98	0.35	0.74	23	empty

Compared structures

6U6A · Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor GW461484A · 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 A0A1D8PKB4
Elsewhere: RCSB PDB 6U6A · PDBe 6U6A · UniProt A0A1D8PKB4

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