MolNFT v1 · #95728 · protein

Structure of the complex between ERK2 phosphomimetic mutant and pea-15

4IZ5 · Mitogen-activated protein kinase 1: “Structure of the complex between ERK2 phosphomimetic mutant and pea-15”. X-ray diffraction, 2 ligands (ADP, SO4), 20 pockets (best druggability 0.83). MolNFT v1 #95728 on GenesisL1: 3D structure…

PDB: 4IZ5
Type: protein
Length: 1,726 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mitogen-activated protein kinase 1; Astrocytic phosphoprotein pea-15
EC: 2.7.11.24
UniProt: P28482, Q15121
Ligands: ADP, SO4
Pockets: 20 · best druggability 0.83

Structure

x-ray diffraction · 3 distinct chains · 45% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Mitogen-activated protein kinase 1 (EC 2.7.11.24)	protein	347	39% helix, 16% strand	P28482
E, F, G	Astrocytic phosphoprotein pea-15	protein	86	57% helix, 0% strand	Q15121
H	Astrocytic phosphoprotein pea-15	protein	80	61% helix, 0% strand	Q15121

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · 4 copies · chains A, B, C, D
SO4 · Sulfate ion · ion · 16 copies · chains A, B, H, C, D

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

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1031	0.83	0.84	115	ADP, SO4
2	1196	0.80	0.81	99	ADP, SO4
3	611	0.78	0.84	73	ADP, SO4
4	716	0.76	0.81	65	SO4
5	577	0.75	0.82	51	SO4

Interfaces

11 interfaces between chains.

D–E · 1084 Å² buried · 12 hydrogen bonds · protein-protein
C–F · 1071 Å² buried · 14 hydrogen bonds · protein-protein
A–G · 1048 Å² buried · 12 hydrogen bonds · protein-protein
C–D · 829 Å² buried · 8 hydrogen bonds · protein-protein
A–B · 803 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

4IZ5 · Structure of the complex between ERK2 phosphomimetic mutant and PEA-15 · the same entry in another collection · chain H against H, TM-score 1.00
Q15121 · AlphaFold monomer V2.0 prediction for astrocytic phosphoprotein pea-15 (Q15121) · a predicted model of the same protein · chain H 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 P28482
Every structure of UniProt Q15121
Elsewhere: RCSB PDB 4IZ5 · PDBe 4IZ5 · UniProt P28482 · UniProt Q15121

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