MolNFT v1 · #122175 · protein

Melk in complex with nvs-MELK12B

5IHC · Maternal embryonic leucine zipper kinase: “Melk in complex with nvs-MELK12B”. X-ray diffraction, 1 ligand (6BB), 3 pockets (best druggability 0.63). MolNFT v1 #122175 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5IHC
Type: protein
Length: 305 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: 6BB
Pockets: 3 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Maternal embryonic leucine zipper kinase (EC 2.7.11.1)	protein	305	46% helix, 14% strand	Q14680

Ligands and binding sites

6BB · 4-[1-(2-fluorophenyl)-1H-pyrazol-4-yl]-3-[(piperidin-4-yl)methoxy]pyridine · ligand · chains A

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

Pockets

3 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	244	0.63	0.81	35	6BB
2	237	0.60	0.80	27	empty
3	80	0.34	0.75	15	empty

Compared structures

5IHC · MELK in complex with NVS-MELK12B · 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 5IHC · PDBe 5IHC · UniProt Q14680

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