MolNFT v1 · #56301 · protein
Crystal structure of P38 in complex with 4-anilino quinoline inhibitor
2ZAZ · Mitogen-activated protein kinase 14: “Crystal structure of P38 in complex with 4-anilino quinoline inhibitor”. X-ray diffraction, 1 ligand (GK1), 5 pockets (best druggability 0.68). MolNFT v1 #56301 on GenesisL1: 3D structure…
- PDB
- 2ZAZ
- Type
- protein
- Length
- 345 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 14
- EC
- 2.7.11.24
- UniProt
- Q16539
- Ligands
- GK1
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 14 (EC 2.7.11.24) | protein | 345 | 41% helix, 14% strand | Q16539 |
Ligands and binding sites
- GK1 · 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde · ligand · chains A
- ACT · Acetate ion · additive · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 476 | 0.68 | 0.79 | 60 | ACT, GK1 |
| 2 | 116 | 0.42 | 0.76 | 19 | empty |
| 3 | 70 | 0.34 | 0.76 | 16 | empty |
| 4 | 55 | 0.29 | 0.74 | 12 | empty |
| 5 | 60 | 0.28 | 0.74 | 16 | empty |
Compared structures
- 2ZAZ · Crystal structure of P38 in complex with 4-anilino quinoline inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
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 Q16539
- Elsewhere: RCSB PDB 2ZAZ · PDBe 2ZAZ · UniProt Q16539
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