Research workbench
Tetracycline repressor TETR(D) bound to chlortetracycline and iso-chlortetracycline
Analyse Tetracycline repressor TETR(D) bound to chlortetracycline and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4V2G
- Type
- protein
- Length
- 403 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tetracycline repressor protein class D
- UniProt
- P0ACT4
- Ligands
- ITC, CTC, MG
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tetracycline repressor protein class D | protein | 207 | 71% helix, 0% strand | P0ACT4 |
| B | Tetracycline repressor protein class D | protein | 196 | 72% helix, 0% strand | P0ACT4 |
Ligands and binding sites
- ITC · Iso-7-chlortetracycline · ligand · chains A, B
- CTC · 7-chlorotetracycline · ligand · chains A, B
- MG · Magnesium ion · metal · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 467 | 0.83 | 0.90 | 51 | CTC, MG |
| 2 | 501 | 0.81 | 0.88 | 52 | ITC |
| 3 | 230 | 0.54 | 0.77 | 31 | empty |
| 4 | 252 | 0.53 | 0.76 | 32 | empty |
| 5 | 60 | 0.33 | 0.77 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 2840 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 4V2G · Tetracycline repressor TetR(D) bound to chlortetracycline and iso- chlortetracycline · the same entry in another collection · chain A against A, TM-score 1.00
- P0ACT4 · AlphaFold monomer V2.0 prediction for tetracycline repressor protein class D (P0ACT4) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P0ACT4
- Elsewhere: RCSB PDB 4V2G · PDBe 4V2G · UniProt P0ACT4
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