MolNFT v1 · #46932 · protein

Crystal structure of ERK2 in complex with N,N-dimethyl-4-(4- phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide

2OJG · Mitogen-activated protein kinase 1: “Crystal structure of ERK2 in complex with N,N-dimethyl-4-(4- phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide”. X-ray diffraction, 2 ligands (19A, SO4), 6 pockets (best druggability 0.70). MolNFT…

PDB: 2OJG
Type: protein
Length: 337 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: 19A, SO4
Pockets: 6 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 1 (EC 2.7.11.24)	protein	337	40% helix, 15% strand	P28482

Ligands and binding sites

19A · N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide · 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

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	318	0.70	0.83	40	19A
2	79	0.51	0.84	19	empty
3	135	0.50	0.79	17	empty
4	106	0.39	0.76	19	empty
5	54	0.31	0.76	18	empty

Compared structures

2OJG · Crystal structure of ERK2 in complex with N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyr… · 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 2OJG · PDBe 2OJG · UniProt P28482

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