MolNFT v1 · #138623 · protein

Complex of ERK2 with 5,7-dihydroxychromone

5WP1 · Mitogen-activated protein kinase 1: “Complex of ERK2 with 5,7-dihydroxychromone”. X-ray diffraction, 3 ligands (B7S, BEZ, SO4), 3 pockets (best druggability 0.72). MolNFT v1 #138623 on GenesisL1: 3D structure, binding sites and…

PDB: 5WP1
Type: protein
Length: 343 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mitogen-activated protein kinase 1
EC: 2.7.11.24
UniProt: P28482
Ligands: B7S, BEZ, SO4
Pockets: 3 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 1 (EC 2.7.11.24)	protein	343	40% helix, 14% strand	P28482

Ligands and binding sites

B7S · 5,7-dihydroxy-4H-1-benzopyran-4-one · ligand · chains A
BEZ · Benzoic acid · ligand · chains A
SO4 · Sulfate ion · ion · 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	366	0.72	0.83	43	B7S
2	83	0.46	0.81	17	empty
3	54	0.31	0.76	18	empty

Modifications

Observed in the structure: 3 modified (artifact).

Compared structures

5WP1 · Complex of ERK2 with 5,7-dihydroxychromone · 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 P28482
Elsewhere: RCSB PDB 5WP1 · PDBe 5WP1 · UniProt P28482

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