MolNFT v1 · #90550 · protein
Crystal structure of the mutant of clpp E137A from staphylococcus aureus
4EMP · ATP-dependent clp protease proteolytic subunit: “Crystal structure of the mutant of clpp E137A from staphylococcus aureus”. X-ray diffraction, 20 pockets (best druggability 0.64). MolNFT v1 #90550 on GenesisL1: 3D structure, binding…
- PDB
- 4EMP
- Type
- protein
- Length
- 2,594 residues
- Chains
- 14
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-dependent clp protease proteolytic subunit
- EC
- 3.4.21.92
- UniProt
- P63786
- Pockets
- 20 · best druggability 0.64
Structure
x-ray diffraction · 8 distinct chains · 45% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| V, A, I | ATP-dependent clp protease proteolytic subunit (EC 3.4.21.92) | protein | 189 | 44% helix, 29% strand | P63786 |
| B | ATP-dependent clp protease proteolytic subunit (EC 3.4.21.92) | protein | 182 | 46% helix, 26% strand | P63786 |
| C | ATP-dependent clp protease proteolytic subunit (EC 3.4.21.92) | protein | 185 | 44% helix, 26% strand | P63786 |
| E, F, M, N | ATP-dependent clp protease proteolytic subunit (EC 3.4.21.92) | protein | 185 | 44% helix, 27% strand | P63786 |
| G | ATP-dependent clp protease proteolytic subunit (EC 3.4.21.92) | protein | 180 | 47% helix, 26% strand | P63786 |
| K, T | ATP-dependent clp protease proteolytic subunit (EC 3.4.21.92) | protein | 186 | 45% helix, 27% strand | P63786 |
| L | ATP-dependent clp protease proteolytic subunit (EC 3.4.21.92) | protein | 184 | 45% helix, 27% strand | P63786 |
| S | ATP-dependent clp protease proteolytic subunit (EC 3.4.21.92) | protein | 184 | 46% helix, 27% strand | P63786 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 60 | 0.64 | 0.93 | 19 | empty |
| 2 | 383 | 0.63 | 0.78 | 52 | empty |
| 3 | 377 | 0.63 | 0.78 | 51 | empty |
| 4 | 59 | 0.62 | 0.92 | 17 | empty |
| 5 | 395 | 0.62 | 0.77 | 49 | empty |
Interfaces
36 interfaces between chains.
- V–A · 1657 Ų buried · 15 hydrogen bonds · protein-protein
- I–T · 1604 Ų buried · 16 hydrogen bonds · protein-protein
- S–T · 1569 Ų buried · 14 hydrogen bonds · protein-protein
- I–K · 1538 Ų buried · 17 hydrogen bonds · protein-protein
- N–S · 1535 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4EMP · Crystal structure of the mutant of ClpP E137A from Staphylococcus aureus · the same entry in another collection · chain K against K, 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 P63786
- Elsewhere: RCSB PDB 4EMP · PDBe 4EMP · UniProt P63786
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