MolNFT v1 · #54291 · protein
Crystal structure of a gtpys-form protofilament of bacillus thuringiensis serovar israelensis tubz
2XKA · FTSZ/TUBULIN-related protein: “Crystal structure of a gtpys-form protofilament of bacillus thuringiensis serovar israelensis tubz”. X-ray diffraction, 2 ligands (GSP, MG), 20 pockets (best druggability 0.83). MolNFT v1 #54291 on…
- PDB
- 2XKA
- Type
- protein
- Length
- 2,834 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FTSZ/TUBULIN-related protein
- UniProt
- Q8KNP3
- Ligands
- GSP, MG
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 7 distinct chains · 46% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FTSZ/TUBULIN-related protein | protein | 399 | 47% helix, 19% strand | Q8KNP3 |
| B | FTSZ/TUBULIN-related protein | protein | 400 | 48% helix, 18% strand | Q8KNP3 |
| C | FTSZ/TUBULIN-related protein | protein | 410 | 47% helix, 18% strand | Q8KNP3 |
| D | FTSZ/TUBULIN-related protein | protein | 402 | 46% helix, 18% strand | Q8KNP3 |
| E | FTSZ/TUBULIN-related protein | protein | 395 | 45% helix, 18% strand | Q8KNP3 |
| F | FTSZ/TUBULIN-related protein | protein | 414 | 45% helix, 18% strand | Q8KNP3 |
| G | FTSZ/TUBULIN-related protein | protein | 414 | 47% helix, 18% strand | Q8KNP3 |
Ligands and binding sites
- GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · 7 copies · chains A, B, C, D, E, F, G
- MG · Magnesium ion · metal · 7 copies · chains A, B, C, D, E, F, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1104 | 0.83 | 0.84 | 102 | GSP, MG |
| 2 | 963 | 0.83 | 0.85 | 124 | GSP, MG |
| 3 | 533 | 0.83 | 0.89 | 67 | GSP, MG |
| 4 | 1101 | 0.82 | 0.83 | 117 | GSP, MG |
| 5 | 946 | 0.81 | 0.83 | 103 | GSP, MG |
Interfaces
6 interfaces between chains.
- E–F · 1980 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1780 Ų buried · 15 hydrogen bonds · protein-protein
- F–G · 1719 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 1691 Ų buried · 9 hydrogen bonds · protein-protein
- D–E · 1329 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 2XKA · Crystal structure of a GTPyS-form protofilament of Bacillus thuringiensis serovar… · the same entry in another collection · chain G against G, TM-score 1.00
- Q8KNP3 · AlphaFold monomer V2.0 prediction for tubulin-like protein tubz (Q8KNP3) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q8KNP3
- Elsewhere: RCSB PDB 2XKA · PDBe 2XKA · UniProt Q8KNP3
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