MolNFT v1 · #17373 · protein
Tet repressor, class D in complex with 9-(N,N-dimethylglycylamido)-6- demethyl-6-deoxy-tetracycline
1ORK · Tetracycline repressor: “Tet repressor, class D in complex with 9-(N,N-dimethylglycylamido)-6- demethyl-6-deoxy-tetracycline”. X-ray diffraction, 2 ligands (ATC, MG), 2 pockets (best druggability 0.65). MolNFT v1 #17373 on…
- PDB
- 1ORK
- Type
- protein
- Length
- 197 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tetracycline repressor
- UniProt
- P0ACT4
- Ligands
- ATC, MG
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tetracycline repressor | protein | 197 | 72% helix, 0% strand | P0ACT4 |
Ligands and binding sites
- ATC · 9-(N,N-dimethylglycylamido)-6-deoxy-6-demethyl-tetracycline · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 271 | 0.65 | 0.82 | 32 | MG, ATC |
| 2 | 56 | 0.25 | 0.72 | 16 | empty |
Compared structures
- 1ORK · Tet repressor, class D in complex with 9-(N,N-dimethylglycylamido)-6-demethyl-6-deoxy-tetr… · 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 A 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 1ORK · PDBe 1ORK · UniProt P0ACT4
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