MolNFT v1 · #112568 · protein

MAP4K4 in complex with inhibitor

4ZP5 · Mitogen-activated protein kinase kinase kinase kinase 4: “MAP4K4 in complex with inhibitor”. X-ray diffraction, 1 ligand (4QG), 7 pockets (best druggability 0.73). MolNFT v1 #112568 on GenesisL1: 3D structure, binding sites and…

PDB: 4ZP5
Type: protein
Length: 584 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mitogen-activated protein kinase kinase kinase kinase 4
EC: 2.7.11.1
UniProt: O95819
Ligands: 4QG
Pockets: 7 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase kinase kinase kinase 4 (EC 2.7.11.1)	protein	284	36% helix, 16% strand	O95819
B	Mitogen-activated protein kinase kinase kinase kinase 4 (EC 2.7.11.1)	protein	300	34% helix, 16% strand	O95819

Ligands and binding sites

4QG · 4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide · ligand · chains A

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

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	455	0.73	0.83	53	empty
2	256	0.71	0.86	38	4QG
3	228	0.61	0.81	35	empty
4	259	0.59	0.79	25	empty
5	57	0.45	0.83	20	empty

Interfaces

1 interface between chains.

A–B · 1442 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

4ZP5 · MAP4K4 in complex with inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
O95819 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase kinase kinase… · a predicted model of the same protein · chain A against A, TM-score 0.95

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 O95819
Elsewhere: RCSB PDB 4ZP5 · PDBe 4ZP5 · UniProt O95819

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