MolNFT v1 · #36868 · protein
Crystal structure analysis of tet repressor (class D) in complex with 7-chlortetracycline-NICKEL(II)
2FJ1 · Tetracycline repressor protein class D: “Crystal structure analysis of tet repressor (class D) in complex with 7-chlortetracycline-NICKEL(II)”. X-ray diffraction, 3 ligands (CTC, NI, CL), 2 pockets (best druggability 0.66). MolNFT…
- PDB
- 2FJ1
- 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
- CTC, NI, CL
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tetracycline repressor protein class D | protein | 207 | 69% helix, 0% strand | P0ACT4 |
Ligands and binding sites
- CTC · 7-chlorotetracycline · ligand · chains A
- NI · Nickel (II) ion · metal · chains A
- CL · Chloride ion · ion · 3 copies · 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 | 312 | 0.66 | 0.81 | 33 | NI, CTC |
| 2 | 52 | 0.33 | 0.77 | 11 | empty |
Compared structures
- 2FJ1 · Crystal Structure Analysis of Tet Repressor (class D) in Complex with… · 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 2FJ1 · PDBe 2FJ1 · UniProt P0ACT4
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