MolNFT v1 · #30267 · protein

Human P38 MAP kinase in complex with inhibitor 1A

1ZYJ · Mitogen-activated protein kinase 14: “Human P38 MAP kinase in complex with inhibitor 1A”. X-ray diffraction, 1 ligand (BI5), 6 pockets (best druggability 0.66). MolNFT v1 #30267 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 1ZYJ
Type: protein
Length: 331 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mitogen-activated protein kinase 14
EC: 2.7.1.37
UniProt: Q16539
Ligands: BI5
Pockets: 6 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 14 (EC 2.7.1.37)	protein	331	38% helix, 15% strand	Q16539

Ligands and binding sites

BI5 · 4-phenoxy-N-(pyridin-2-ylmethyl)benzamide · ligand · chains A
BOG · octyl beta-D-glucopyranoside · additive · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	107	0.66	0.90	23	BOG
2	225	0.63	0.82	30	BI5
3	77	0.36	0.76	12	empty
4	93	0.36	0.75	18	empty
5	61	0.32	0.76	17	empty

Compared structures

1ZYJ · Human P38 MAP Kinase in Complex with Inhibitor 1a · 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 Q16539
Elsewhere: RCSB PDB 1ZYJ · PDBe 1ZYJ · UniProt Q16539

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