MolNFT v1 · #123934 · protein
Melk in complex with nvs-MELK5
5K00 · Maternal embryonic leucine zipper kinase: “Melk in complex with nvs-MELK5”. X-ray diffraction, 1 ligand (6PV), 3 pockets (best druggability 0.75). MolNFT v1 #123934 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5K00
- Type
- protein
- Length
- 311 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
- 6PV
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 15% 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 | 311 | 46% helix, 15% strand | Q14680 |
Ligands and binding sites
- 6PV · 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl) methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino) ethyl]benzamide · 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 | 243 | 0.75 | 0.88 | 32 | 6PV |
| 2 | 267 | 0.61 | 0.79 | 30 | empty |
| 3 | 77 | 0.36 | 0.77 | 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 5K00 · PDBe 5K00 · UniProt Q14680
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