Research workbench

Structural analysis of checkpoint kinase 2 (CHK2) in complex with inhibitor PV1533

Analyse Structural analysis of checkpoint kinase 2 (CHK2) in complex with inhibitor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2XK9
Type: protein
Length: 284 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Checkpoint kinase 2
UniProt: A8JZZ5
Ligands: XK9
Pockets: 3 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Checkpoint kinase 2	protein	284	42% helix, 17% strand	A8JZZ5

Ligands and binding sites

XK9 · N-{4-[(1E)-N-(N-hydroxycarbamimidoyl)ethanehydrazonoyl]phenyl}-7-nitro-1H-indole-2-carboxamide · ligand · 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	277	0.62	0.80	37	XK9
2	112	0.36	0.73	20	empty
3	78	0.32	0.74	14	empty

Compared structures

2XK9 · Structural analysis of checkpoint kinase 2 (Chk2) in complex with inhibitor PV1533 · 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 A8JZZ5
Elsewhere: RCSB PDB 2XK9 · PDBe 2XK9 · UniProt A8JZZ5

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.