MolNFT v1 · #121602 · protein

Structure of PAK4

5I0B · SERINE/THREONINE-protein kinase pak 4: “Structure of PAK4”. X-ray diffraction, 1 ligand (67U), 3 pockets (best druggability 0.69). MolNFT v1 #121602 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5I0B
Type: protein
Length: 289 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SERINE/THREONINE-protein kinase pak 4
EC: 2.7.11.1
UniProt: O96013
Ligands: 67U
Pockets: 3 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SERINE/THREONINE-protein kinase pak 4 (EC 2.7.11.1)	protein	289	38% helix, 19% strand	O96013

Ligands and binding sites

67U · 6-bromo-2-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridine · 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	305	0.69	0.83	42	67U
2	57	0.35	0.78	15	empty
3	65	0.27	0.72	15	empty

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

5I0B · Structure of PAK4 · the same entry in another collection · chain A against A, TM-score 1.00
O96013 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase pak 4 (O96013) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 O96013
Elsewhere: RCSB PDB 5I0B · PDBe 5I0B · UniProt O96013

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