Research workbench
Crystal structure of project id TT0268 from thermus thermophilus HB8
Analyse Crystal structure of project id TT0268 from thermus thermophilus HB8 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1X1O
- Type
- protein
- Length
- 830 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinate-nucleotide pyrophosphorylase
- EC
- 2.4.2.19
- UniProt
- Q5SJM3
- Pockets
- 10 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Nicotinate-nucleotide pyrophosphorylase (EC 2.4.2.19) | protein | 277 | 45% helix, 20% strand | Q5SJM3 |
| B | Nicotinate-nucleotide pyrophosphorylase (EC 2.4.2.19) | protein | 276 | 45% helix, 20% strand | Q5SJM3 |
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 469 | 0.74 | 0.83 | 44 | empty |
| 2 | 189 | 0.73 | 0.90 | 31 | empty |
| 3 | 681 | 0.72 | 0.79 | 59 | empty |
| 4 | 519 | 0.71 | 0.81 | 42 | empty |
| 5 | 563 | 0.63 | 0.75 | 65 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2644 Ų buried · 45 hydrogen bonds · protein-protein
- B–C · 844 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 376 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 1X1O · Crystal structure of project ID TT0268 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 Q5SJM3
- Elsewhere: RCSB PDB 1X1O · PDBe 1X1O · UniProt Q5SJM3
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