MolNFT v1 · #101817 · protein

Crystal structure of MPK3 from leishmania donovani, LDBPK_100540 in the presence of nvp-BBT594

4O2Z · Mitogen-activated protein kinase 3, putative: “Crystal structure of MPK3 from leishmania donovani, LDBPK_100540 in the presence of nvp-BBT594”. X-ray diffraction, 1 ligand (046), 2 pockets (best druggability 0.76). MolNFT v1 #101817…

PDB: 4O2Z
Type: protein
Length: 363 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mitogen-activated protein kinase 3, putative
UniProt: E9BA99
Ligands: 046
Pockets: 2 · best druggability 0.76

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 3, putative	protein	363	38% helix, 15% strand	E9BA99

Ligands and binding sites

046 · 5-{[6-(acetylamino)pyrimidin-4-yl]oxy}-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl) phenyl}-2,3-dihydro-1H-indole-1-carboxamide · 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	693	0.76	0.81	59	046
2	57	0.33	0.77	12	empty

Compared structures

4O2Z · Crystal Structure of MPK3 from Leishmania donovani, LdBPK_100540 in the presence of… · 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 E9BA99
Elsewhere: RCSB PDB 4O2Z · PDBe 4O2Z · UniProt E9BA99

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