MolNFT v1 · #34850 · protein
Crystal structure of TTHA0281 from thermus thermophilus HB8
2DSY · Hypothetical protein TTHA0281: “Crystal structure of TTHA0281 from thermus thermophilus HB8”. X-ray diffraction, 1 ligand (MG), 2 pockets (best druggability 0.50). MolNFT v1 #34850 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2DSY
- Type
- protein
- Length
- 314 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein TTHA0281
- UniProt
- Q5SLL2
- Ligands
- MG
- Pockets
- 2 · best druggability 0.50
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein TTHA0281 | protein | 80 | 40% helix, 18% strand | Q5SLL2 |
| B | Hypothetical protein TTHA0281 | protein | 77 | 42% helix, 18% strand | Q5SLL2 |
| C | Hypothetical protein TTHA0281 | protein | 76 | 42% helix, 18% strand | Q5SLL2 |
| D | Hypothetical protein TTHA0281 | protein | 81 | 40% helix, 17% strand | Q5SLL2 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains B
- NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · 2 copies · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 246 | 0.50 | 0.74 | 24 | empty |
| 2 | 277 | 0.49 | 0.73 | 25 | empty |
Interfaces
4 interfaces between chains.
- C–D · 854 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 818 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 584 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 467 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 2DSY · Crystal structure of TTHA0281 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 Q5SLL2
- Elsewhere: RCSB PDB 2DSY · PDBe 2DSY · UniProt Q5SLL2
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