MolNFT v1 · #54640 · protein
Crystal structure of the tellurite detoxification protein tehb from E. COLI in complex with sinefungin
2XVA · Tellurite resistance protein tehb: “Crystal structure of the tellurite detoxification protein tehb from E. COLI in complex with sinefungin”. X-ray diffraction, 2 ligands (SFG, ZN), 11 pockets (best druggability 0.56). MolNFT v1…
- PDB
- 2XVA
- Type
- protein
- Length
- 782 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tellurite resistance protein tehb
- UniProt
- P25397
- Ligands
- SFG, ZN
- Pockets
- 11 · best druggability 0.56
Structure
x-ray diffraction · 3 distinct chains · 30% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Tellurite resistance protein tehb | protein | 199 | 29% helix, 31% strand | P25397 |
| C | Tellurite resistance protein tehb | protein | 190 | 30% helix, 33% strand | P25397 |
| D | Tellurite resistance protein tehb | protein | 194 | 29% helix, 32% strand | P25397 |
Ligands and binding sites
- SFG · Sinefungin · ligand · 4 copies · chains A, B, C, D
- ZN · Zinc ion · metal · 3 copies · chains B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 406 | 0.56 | 0.74 | 52 | SFG, ZN |
| 2 | 359 | 0.55 | 0.75 | 42 | SFG |
| 3 | 175 | 0.51 | 0.78 | 27 | empty |
| 4 | 221 | 0.47 | 0.74 | 24 | empty |
| 5 | 160 | 0.44 | 0.75 | 22 | SFG |
Interfaces
5 interfaces between chains.
- A–D · 249 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 228 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 194 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 176 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 139 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2XVA · Crystal structure of the tellurite detoxification protein TehB from E. coli in complex… · the same entry in another collection · chain D against D, TM-score 1.00
- P25397 · AlphaFold monomer V2.0 prediction for tellurite methyltransferase (P25397) · a predicted model of the same protein · chain C 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 P25397
- Elsewhere: RCSB PDB 2XVA · PDBe 2XVA · UniProt P25397
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