Research workbench

Ethr from mycobacterium tuberculosis in complex with compound BDM31381

Analyse Ethr from mycobacterium tuberculosis in complex with compound BDM31381 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3G1M
Type: protein
Length: 194 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulatory repressor protein (tetr-family) ethr
UniProt: P96222
Ligands: RF3
Pockets: 1 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 77% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulatory repressor protein (tetr-family) ethr	protein	194	77% helix, 0% strand	P96222

Ligands and binding sites

RF3 · 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine · ligand · 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	202	0.71	0.87	28	RF3

Compared structures

3G1M · EthR from Mycobacterium tuberculosis in complex with compound BDM31381 · 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 P96222
Elsewhere: RCSB PDB 3G1M · PDBe 3G1M · UniProt P96222

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