MolNFT v1 · #122173 · protein

Melk in complex with nvs-MELK8F

5IHA · Maternal embryonic leucine zipper kinase: “Melk in complex with nvs-MELK8F”. X-ray diffraction, 1 ligand (6BE), 2 pockets (best druggability 0.62). MolNFT v1 #122173 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5IHA
Type: protein
Length: 303 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Maternal embryonic leucine zipper kinase
EC: 2.7.11.1
UniProt: Q14680
Ligands: 6BE
Pockets: 2 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Maternal embryonic leucine zipper kinase (EC 2.7.11.1)	protein	303	43% helix, 15% strand	Q14680

Ligands and binding sites

6BE · 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	314	0.62	0.79	41	empty
2	204	0.57	0.79	30	6BE

Compared structures

5IHA · MELK in complex with NVS-MELK8F · the same entry in another collection · chain A against A, TM-score 1.00
Q14680 · AlphaFold monomer V2.0 prediction for maternal embryonic leucine zipper kinase (Q14680) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q14680
Elsewhere: RCSB PDB 5IHA · PDBe 5IHA · UniProt Q14680

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