MolNFT v1 · #119057 · protein

TETR(D) H100A mutant in complex with anhydrotetracycline and magnesium

5FKL · Tetracycline repressor, class D: “TETR(D) H100A mutant in complex with anhydrotetracycline and magnesium”. X-ray diffraction, 4 ligands (TDC, MG, CL), 3 pockets (best druggability 0.69). MolNFT v1 #119057 on GenesisL1: 3D structure…

PDB: 5FKL
Type: protein
Length: 203 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tetracycline repressor, class D
UniProt: C6G9U5
Ligands: TDC, MG, CL, SO4
Pockets: 3 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tetracycline repressor, class D	protein	203	72% helix, 0% strand	C6G9U5

Ligands and binding sites

TDC · 5A,6-anhydrotetracycline · ligand · chains A
MG · Magnesium ion · metal · chains A
CL · Chloride ion · ion · 3 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

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	355	0.69	0.82	34	TDC, MG
2	51	0.34	0.78	11	empty
3	61	0.26	0.72	14	empty

Compared structures

5FKL · TetR(D) H100A mutant in complex with anhydrotetracycline and magnesium · the same entry in another collection · chain A against A, TM-score 1.00

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 C6G9U5
Elsewhere: RCSB PDB 5FKL · PDBe 5FKL · UniProt C6G9U5

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