MolNFT v1 · #92882 · protein
The crystal structure of a peptidase from plasmodium falciparum
4GM2 · ATP-dependent clp protease proteolytic subunit: “The crystal structure of a peptidase from plasmodium falciparum”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #92882 on GenesisL1: 3D structure, binding sites…
- PDB
- 4GM2
- Type
- protein
- Length
- 1,202 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-dependent clp protease proteolytic subunit
- UniProt
- Q8IL98
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 6 distinct chains · 43% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | ATP-dependent clp protease proteolytic subunit | protein | 183 | 42% helix, 21% strand | Q8IL98 |
| B | ATP-dependent clp protease proteolytic subunit | protein | 165 | 42% helix, 23% strand | Q8IL98 |
| C | ATP-dependent clp protease proteolytic subunit | protein | 167 | 44% helix, 22% strand | Q8IL98 |
| D | ATP-dependent clp protease proteolytic subunit | protein | 163 | 44% helix, 23% strand | Q8IL98 |
| F | ATP-dependent clp protease proteolytic subunit | protein | 170 | 44% helix, 22% strand | Q8IL98 |
| G | ATP-dependent clp protease proteolytic subunit | protein | 171 | 44% helix, 22% strand | Q8IL98 |
Pockets
20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 958 | 0.81 | 0.83 | 108 | empty |
| 2 | 1112 | 0.77 | 0.79 | 83 | empty |
| 3 | 533 | 0.67 | 0.78 | 76 | empty |
| 4 | 412 | 0.64 | 0.78 | 48 | empty |
| 5 | 304 | 0.63 | 0.80 | 51 | empty |
Interfaces
7 interfaces between chains.
- A–G · 1371 Ų buried · 14 hydrogen bonds · protein-protein
- D–G · 1062 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 1057 Ų buried · 10 hydrogen bonds · protein-protein
- B–E · 1032 Ų buried · 11 hydrogen bonds · protein-protein
- C–F · 999 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4GM2 · The crystal structure of a peptidase 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 Q8IL98
- Elsewhere: RCSB PDB 4GM2 · PDBe 4GM2 · UniProt Q8IL98
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