MolNFT v1 · #81873 · protein
The crystal structure of the mutant clpp S98A (staphylococcus aureus)
3V5I · ATP-dependent clp protease proteolytic subunit: “The crystal structure of the mutant clpp S98A (staphylococcus aureus)”. X-ray diffraction, 20 pockets (best druggability 0.68). MolNFT v1 #81873 on GenesisL1: 3D structure, binding…
- PDB
- 3V5I
- Type
- protein
- Length
- 5,152 residues
- Chains
- 28
- 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
- Q2G036
- Pockets
- 20 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X, Y, Z, a, b | ATP-dependent clp protease proteolytic subunit (EC 3.4.21.92) | protein | 184 | 45% helix, 27% strand | Q2G036 |
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 | 433 | 0.68 | 0.80 | 57 | empty |
| 2 | 86 | 0.64 | 0.90 | 19 | empty |
| 3 | 79 | 0.63 | 0.91 | 18 | empty |
| 4 | 77 | 0.63 | 0.91 | 20 | empty |
| 5 | 77 | 0.63 | 0.91 | 18 | empty |
Interfaces
71 interfaces between chains.
- K–L · 1677 Ų buried · 17 hydrogen bonds · protein-protein
- E–F · 1670 Ų buried · 17 hydrogen bonds · protein-protein
- S–T · 1666 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1660 Ų buried · 14 hydrogen bonds · protein-protein
- V–b · 1659 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 3V5I · The crystal structure of the mutant ClpP S98A (Staphylococcus aureus) · the same entry in another collection · chain G against G, 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 Q2G036
- Elsewhere: RCSB PDB 3V5I · PDBe 3V5I · UniProt Q2G036
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