MolNFT v1 · #107962 · protein

Human slk with sb-440719

4USF · STE20-like SERINE/THREONINE-protein kinase: “Human slk with sb-440719”. X-ray diffraction, 1 ligand (6UI), 5 pockets (best druggability 0.71). MolNFT v1 #107962 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4USF
Type: protein
Length: 562 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: STE20-like SERINE/THREONINE-protein kinase
EC: 2.7.11.1
UniProt: Q9H2G2
Ligands: 6UI
Pockets: 5 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	STE20-like SERINE/THREONINE-protein kinase (EC 2.7.11.1)	protein	277	42% helix, 16% strand	Q9H2G2
B	STE20-like SERINE/THREONINE-protein kinase (EC 2.7.11.1)	protein	285	41% helix, 15% strand	Q9H2G2

Ligands and binding sites

6UI · 4-[4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]pyridine · ligand · 2 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	299	0.71	0.84	42	6UI
2	752	0.71	0.77	65	empty
3	237	0.71	0.86	35	6UI
4	129	0.59	0.84	19	empty
5	132	0.53	0.81	24	empty

Interfaces

1 interface between chains.

A–B · 334 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

4USF · Human SLK with SB-440719 · the same entry in another collection · chain A against A, TM-score 1.00
Q9H2G2 · AlphaFold monomer V2.0 prediction for STE20-like SERINE/THREONINE- protein kinase (Q9H2G2) · a predicted model of the same protein · chain A against A, TM-score 0.91

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 Q9H2G2
Elsewhere: RCSB PDB 4USF · PDBe 4USF · UniProt Q9H2G2

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