MolNFT v1 · #139124 · protein
Crystal structure of zak in complex with compound D2829
5X5O · Mitogen-activated protein kinase kinase kinase mlt: “Crystal structure of zak in complex with compound D2829”. X-ray diffraction, 1 ligand (7Z0), 1 pocket (best druggability 0.71). MolNFT v1 #139124 on GenesisL1: 3D structure…
- PDB
- 5X5O
- Type
- protein
- Length
- 291 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase kinase kinase mlt
- EC
- 2.7.11.25
- UniProt
- Q9NYL2
- Ligands
- 7Z0
- Pockets
- 1 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase kinase kinase mlt (EC 2.7.11.25) | protein | 291 | 47% helix, 14% strand | Q9NYL2 |
Ligands and binding sites
- 7Z0 · N-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 414 | 0.71 | 0.82 | 63 | 7Z0 |
Compared structures
- 5X5O · Crystal structure of ZAK in complex with compound D2829 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NYL2 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase kinase kinase 20… · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q9NYL2
- Elsewhere: RCSB PDB 5X5O · PDBe 5X5O · UniProt Q9NYL2
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