MolNFT v1 · #26724 · protein
Crystal structure of TT1595, a putative SAM-dependent methyltransferase from thermus thermophillus HB8
1WXW · Hypothetical protein TTHA1280: “Crystal structure of TT1595, a putative SAM-dependent methyltransferase from thermus thermophillus HB8”. X-ray diffraction, 11 pockets (best druggability 0.76). MolNFT v1 #26724 on GenesisL1: 3D…
- PDB
- 1WXW
- Type
- protein
- Length
- 1,523 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein TTHA1280
- UniProt
- Q5SIT4
- Pockets
- 11 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein TTHA1280 | protein | 377 | 35% helix, 33% strand | Q5SIT4 |
| B, C, D | Hypothetical protein TTHA1280 | protein | 382 | 34% helix, 32% strand | Q5SIT4 |
Ligands and binding sites
- HEZ · Hexane-1,6-diol · additive · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 948 | 0.76 | 0.79 | 92 | empty |
| 2 | 796 | 0.72 | 0.77 | 72 | empty |
| 3 | 996 | 0.70 | 0.75 | 89 | empty |
| 4 | 721 | 0.69 | 0.76 | 60 | empty |
| 5 | 576 | 0.65 | 0.76 | 64 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1288 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 362 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 306 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 18 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 1WXW · Crystal structure of Tt1595, a putative SAM-dependent methyltransferase from Thermus… · 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 Q5SIT4
- Elsewhere: RCSB PDB 1WXW · PDBe 1WXW · UniProt Q5SIT4
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