MolNFT v1 · #88852 · protein
TETR(D) in complex with anhydrotetracycline and magnesium
4D7M · Tetracycline repressor protein class D: “TETR(D) in complex with anhydrotetracycline and magnesium”. X-ray diffraction, 4 ligands (TDC, MG, CL), 2 pockets (best druggability 0.65). MolNFT v1 #88852 on GenesisL1: 3D structure…
- PDB
- 4D7M
- Type
- protein
- Length
- 207 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tetracycline repressor protein class D
- UniProt
- P0ACT4
- Ligands
- TDC, MG, CL, SO4
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tetracycline repressor protein class D | protein | 207 | 74% helix, 0% strand | P0ACT4 |
Ligands and binding sites
- TDC · 5A,6-anhydrotetracycline · ligand · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 4 copies · chains A
- SO4 · Sulfate ion · ion · 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 | 284 | 0.65 | 0.81 | 30 | TDC, MG |
| 2 | 61 | 0.28 | 0.74 | 18 | empty |
Compared structures
- 4D7M · TetR(D) in complex with anhydrotetracycline and magnesium · 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 4D7M · PDBe 4D7M · UniProt P0ACT4
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