MolNFT v1 · #32544 · protein
Structure of btuba from prosthecobacter dejongeii
2BTO · Tubulin btuba: “Structure of btuba from prosthecobacter dejongeii”. X-ray diffraction, 1 ligand (GTP), 10 pockets (best druggability 0.82). MolNFT v1 #32544 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2BTO
- Type
- protein
- Length
- 939 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tubulin btuba; Thioredoxin 1
- UniProt
- Q8GCC5, P00274
- Ligands
- GTP
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 46% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tubulin btuba | protein | 413 | 46% helix, 19% strand | Q8GCC5 |
| B | Tubulin btuba | protein | 423 | 47% helix, 19% strand | Q8GCC5 |
| T | Thioredoxin 1 | protein | 103 | 38% helix, 26% strand | P00274 |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, T, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1111 | 0.82 | 0.83 | 110 | empty |
| 2 | 539 | 0.74 | 0.82 | 79 | GTP |
| 3 | 132 | 0.56 | 0.83 | 21 | empty |
| 4 | 199 | 0.50 | 0.76 | 34 | GTP |
| 5 | 81 | 0.43 | 0.80 | 20 | empty |
Interfaces
3 interfaces between chains.
- A–B · 904 Ų buried · 7 hydrogen bonds · protein-protein
- A–T · 613 Ų buried · 10 hydrogen bonds · protein-protein
- B–T · 391 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 2BTO · Structure of BtubA from Prosthecobacter dejongeii · 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 Q8GCC5
- Every structure of UniProt P00274
- Elsewhere: RCSB PDB 2BTO · PDBe 2BTO · UniProt Q8GCC5 · UniProt P00274
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