MolNFT v1 · #107776 · protein
Structure of melk in complex with inhibitors
4UMQ · Maternal embryonic leucine zipper kinase: “Structure of melk in complex with inhibitors”. X-ray diffraction, 1 ligand (B5S), 3 pockets (best druggability 0.66). MolNFT v1 #107776 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4UMQ
- Type
- protein
- Length
- 314 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, 2.7.10.2
- UniProt
- Q14680
- Ligands
- B5S
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Maternal embryonic leucine zipper kinase (EC 2.7.11.1, 2.7.10.2) | protein | 314 | 42% helix, 13% strand | Q14680 |
Ligands and binding sites
- B5S · 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 348 | 0.66 | 0.80 | 49 | B5S |
| 2 | 286 | 0.58 | 0.77 | 33 | empty |
| 3 | 59 | 0.35 | 0.78 | 15 | empty |
Compared structures
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 4UMQ · PDBe 4UMQ · UniProt Q14680
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