MolNFT v1 · #55827 · protein
Crystal structure of uncharacterized conserved protein from thermus thermophilus HB8
2YWA · Hypothetical protein TTHA0048: “Crystal structure of uncharacterized conserved protein from thermus thermophilus HB8”. X-ray diffraction, 1 pocket (best druggability 0.43). MolNFT v1 #55827 on GenesisL1: 3D structure, binding sites…
- PDB
- 2YWA
- Type
- protein
- Length
- 459 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein TTHA0048
- UniProt
- Q5SM95
- Pockets
- 1 · best druggability 0.43
Structure
x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Hypothetical protein TTHA0048 | protein | 115 | 74% helix, 0% strand | Q5SM95 |
| C | Hypothetical protein TTHA0048 | protein | 114 | 77% helix, 0% strand | Q5SM95 |
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 83 | 0.43 | 0.80 | 15 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1162 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 1141 Ų buried · 27 hydrogen bonds · protein-protein
- B–C · 280 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 275 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 169 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 2YWA · Crystal structure of uncharacterized conserved protein from Thermus thermophilus HB8 · the same entry in another collection · chain C against C, 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 Q5SM95
- Elsewhere: RCSB PDB 2YWA · PDBe 2YWA · UniProt Q5SM95
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