MolNFT v1 · #167861 · protein
Structure of maternal embryonic leucine zipper kinase bound to LDSM276
6VXR: “Structure of maternal embryonic leucine zipper kinase bound to LDSM276”. X-ray diffraction, 1 ligand (F7D), 3 pockets (best druggability 0.63). MolNFT v1 #167861 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6VXR
- Type
- protein
- Length
- 309 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
- F7D
- 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, 2.7.10.2) | protein | 309 | 46% helix, 14% strand | Q14680 |
Ligands and binding sites
- F7D · (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one · ligand · chains A
- EDO · 1,2-ethanediol · additive · 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 | 300 | 0.63 | 0.79 | 31 | F7D |
| 2 | 231 | 0.61 | 0.81 | 30 | empty |
| 3 | 70 | 0.33 | 0.75 | 13 | empty |
Compared structures
- 6VXR · Structure of Maternal embryonic leucine zipper kinase bound to LDSM276 · 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 0.98
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 6VXR · PDBe 6VXR · UniProt Q14680
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