MolNFT v1 · #81158 · protein

MAP kinase LMAMPK10 from leishmania major in complex with SB203580

3UIB · Mitogen-activated protein kinase: “MAP kinase LMAMPK10 from leishmania major in complex with SB203580”. X-ray diffraction, 1 ligand (SB2), 7 pockets (best druggability 0.63). MolNFT v1 #81158 on GenesisL1: 3D structure, binding…

PDB: 3UIB
Type: protein
Length: 309 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mitogen-activated protein kinase
EC: 2.7.11.1
UniProt: Q4QHJ8
Ligands: SB2
Pockets: 7 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase (EC 2.7.11.1)	protein	309	43% helix, 9% strand	Q4QHJ8

Ligands and binding sites

SB2 · 4-[5-(4-fluoro-phenyl)-2-(4-methanesulfinyl-phenyl)-3H-imidazol-4-yl]-pyridine · ligand · chains A

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

Pockets

7 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	327	0.63	0.79	34	SB2
2	103	0.52	0.82	16	empty
3	165	0.51	0.78	24	empty
4	78	0.38	0.77	22	empty
5	74	0.31	0.74	20	empty

Compared structures

3UIB · Map kinase LMAMPK10 from leishmania major in complex with SB203580 · 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 Q4QHJ8
Elsewhere: RCSB PDB 3UIB · PDBe 3UIB · UniProt Q4QHJ8

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