MolNFT v1 · #108806 · protein
Crystal structure of the gmp synthetase from plasmodium falciparum
4WIM: “Crystal structure of the gmp synthetase from plasmodium falciparum”. X-ray diffraction, 17 pockets (best druggability 0.82). MolNFT v1 #108806 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4WIM
- Type
- protein
- Length
- 1,000 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gmp synthetase
- EC
- 6.3.5.2
- UniProt
- Q8IJR9
- Pockets
- 17 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gmp synthetase (EC 6.3.5.2) | protein | 520 | 33% helix, 16% strand | Q8IJR9 |
| B | Gmp synthetase (EC 6.3.5.2) | protein | 480 | 35% helix, 11% strand | Q8IJR9 |
Pockets
17 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 940 | 0.82 | 0.83 | 106 | empty |
| 2 | 702 | 0.79 | 0.83 | 110 | empty |
| 3 | 514 | 0.77 | 0.84 | 63 | empty |
| 4 | 96 | 0.77 | 0.97 | 30 | empty |
| 5 | 490 | 0.75 | 0.83 | 58 | empty |
Interfaces
1 interface between chains.
- A–B · 1152 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 4WIM · Crystal Structure of the GMP Synthetase from Plasmodium falciparum · 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 Q8IJR9
- Elsewhere: RCSB PDB 4WIM · PDBe 4WIM · UniProt Q8IJR9
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