MolNFT v1 · #127275 · protein

TETR(CLASS a) in complex with 5A,6-anhydrotetracycline and magnesium

5MRU · Tetracycline repressor, class a: “TETR(CLASS a) in complex with 5A,6-anhydrotetracycline and magnesium”. X-ray diffraction, 2 ligands (TDC, MG), 1 pocket (best druggability 0.66). MolNFT v1 #127275 on GenesisL1: 3D structure…

PDB: 5MRU
Type: protein
Length: 173 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tetracycline repressor, class a
Ligands: TDC, MG
Pockets: 1 · best druggability 0.66

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tetracycline repressor, class a	protein	173	72% helix, 0% strand	—

Ligands and binding sites

TDC · 5A,6-anhydrotetracycline · 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

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	328	0.66	0.81	32	TDC, MG

Compared structures

5MRU · TetR(class A) in complex with 5a,6-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
Elsewhere: RCSB PDB 5MRU · PDBe 5MRU

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