MolNFT v1 · #104876 · protein
Crystal structure of MAPK from leishmania donovani, LDBPK_331470
4QNY · Mitogen activated protein kinase, putative: “Crystal structure of MAPK from leishmania donovani, LDBPK_331470”. X-ray diffraction, 2 ligands (ANP, MG), 6 pockets (best druggability 0.77). MolNFT v1 #104876 on GenesisL1: 3D…
- PDB
- 4QNY
- Type
- protein
- Length
- 672 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen activated protein kinase, putative
- UniProt
- E9BQ78
- Ligands
- ANP, MG
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen activated protein kinase, putative | protein | 333 | 41% helix, 15% strand | E9BQ78 |
| B | Mitogen activated protein kinase, putative | protein | 339 | 43% helix, 14% strand | E9BQ78 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 865 | 0.77 | 0.80 | 90 | MG, ANP |
| 2 | 799 | 0.75 | 0.79 | 81 | GOL, MG, ANP |
| 3 | 343 | 0.51 | 0.72 | 39 | empty |
| 4 | 59 | 0.39 | 0.80 | 14 | empty |
| 5 | 71 | 0.34 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 323 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4QNY · Crystal structure of MapK from Leishmania donovani, LDBPK_331470 · 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 E9BQ78
- Elsewhere: RCSB PDB 4QNY · PDBe 4QNY · UniProt E9BQ78
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