MolNFT v1 · #33703 · protein
Crystal structure of TTHA0137 from thermus thermophilus HB8
2CSL · Protein translation initiation inhibitor: “Crystal structure of TTHA0137 from thermus thermophilus HB8”. X-ray diffraction, 11 pockets (best druggability 0.82). MolNFT v1 #33703 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2CSL
- Type
- protein
- Length
- 744 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein translation initiation inhibitor
- UniProt
- Q5SM06
- Pockets
- 11 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Protein translation initiation inhibitor | protein | 124 | 31% helix, 32% strand | Q5SM06 |
Pockets
11 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 156 | 0.82 | 0.98 | 45 | empty |
| 2 | 150 | 0.81 | 0.97 | 45 | empty |
| 3 | 197 | 0.60 | 0.82 | 28 | empty |
| 4 | 218 | 0.60 | 0.81 | 26 | empty |
| 5 | 187 | 0.59 | 0.81 | 22 | empty |
Interfaces
8 interfaces between chains.
- A–B · 991 Ų buried · 11 hydrogen bonds · protein-protein
- D–E · 987 Ų buried · 9 hydrogen bonds · protein-protein
- E–F · 974 Ų buried · 8 hydrogen bonds · protein-protein
- D–F · 971 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 969 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 2CSL · Crystal structure of TTHA0137 from Thermus Thermophilus HB8 · 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 Q5SM06
- Elsewhere: RCSB PDB 2CSL · PDBe 2CSL · UniProt Q5SM06
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