MolNFT v1 · #104920 · protein

Crystal structure of ERK2 in complex with 7-(1-propyl-1H-pyrazol-4- yl)-2-(pyridin-4-yl)-5H-PYRROLO[2,3-B]PYRAZINE

4QP9 · Mitogen-activated protein kinase 1: “Crystal structure of ERK2 in complex with 7-(1-propyl-1H-pyrazol-4…”. X-ray diffraction, 1 ligand (35X), 2 pockets (best druggability 0.73). MolNFT v1 #104920 on GenesisL1: 3D structure, binding…

PDB: 4QP9
Type: protein
Length: 335 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: 35X
Pockets: 2 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 1 (EC 2.7.11.24)	protein	335	39% helix, 15% strand	P28482

Ligands and binding sites

35X · 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine · ligand · chains A

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

Pockets

2 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	488	0.73	0.82	62	35X
2	88	0.42	0.79	29	empty

Compared structures

4QP9 · Crystal Structure of ERK2 in complex with 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H… · 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 4QP9 · PDBe 4QP9 · UniProt P28482

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