MolNFT v1 · #36467 · protein
Crystal structure of the clpp protease catalytic domain from plasmodium falciparum
2F6I · ATP-dependent clp protease, putative: “Crystal structure of the clpp protease catalytic domain from plasmodium falciparum”. X-ray diffraction, 20 pockets (best druggability 0.60). MolNFT v1 #36467 on GenesisL1: 3D structure, binding…
- PDB
- 2F6I
- Type
- protein
- Length
- 1,255 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-dependent clp protease, putative
- EC
- 3.4.21.92
- UniProt
- O97252
- Pockets
- 20 · best druggability 0.60
Structure
x-ray diffraction · 7 distinct chains · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP-dependent clp protease, putative (EC 3.4.21.92) | protein | 182 | 45% helix, 18% strand | O97252 |
| B | ATP-dependent clp protease, putative (EC 3.4.21.92) | protein | 174 | 45% helix, 18% strand | O97252 |
| C | ATP-dependent clp protease, putative (EC 3.4.21.92) | protein | 183 | 44% helix, 17% strand | O97252 |
| D | ATP-dependent clp protease, putative (EC 3.4.21.92) | protein | 182 | 45% helix, 16% strand | O97252 |
| E | ATP-dependent clp protease, putative (EC 3.4.21.92) | protein | 175 | 46% helix, 18% strand | O97252 |
| F | ATP-dependent clp protease, putative (EC 3.4.21.92) | protein | 181 | 44% helix, 15% strand | O97252 |
| G | ATP-dependent clp protease, putative (EC 3.4.21.92) | protein | 178 | 46% helix, 18% strand | O97252 |
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 252 | 0.60 | 0.80 | 28 | empty |
| 2 | 255 | 0.60 | 0.79 | 30 | empty |
| 3 | 242 | 0.60 | 0.80 | 29 | empty |
| 4 | 200 | 0.58 | 0.81 | 27 | empty |
| 5 | 259 | 0.58 | 0.78 | 29 | empty |
Interfaces
7 interfaces between chains.
- B–C · 1813 Ų buried · 21 hydrogen bonds · protein-protein
- A–G · 1783 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 1749 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 1747 Ų buried · 24 hydrogen bonds · protein-protein
- D–E · 1740 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 2F6I · Crystal structure of the ClpP protease catalytic domain 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 O97252
- Elsewhere: RCSB PDB 2F6I · PDBe 2F6I · UniProt O97252
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