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Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in complex with 1-((2-cyclopentylethyl) SULFONYL)PYRROLIDINE at 1.66A resolution

Analyse Structure of transcriptional regulatory repressor protein - ethr from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5J3L
Type: protein
Length: 193 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hth-type transcriptional regulator ethr
UniProt: P9WMC0
Ligands: 6FR
Pockets: 1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 78% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hth-type transcriptional regulator ethr	protein	193	78% helix, 0% strand	P9WMC0

Ligands and binding sites

6FR · 1-[(2-cyclopentylethyl)sulfonyl]pyrrolidine · 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	186	0.72	0.89	32	6FR

Compared structures

5J3L · Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium… · the same entry in another collection · chain A against A, TM-score 1.00
P9WMC0 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator ethr (P9WMC0) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P9WMC0
Elsewhere: RCSB PDB 5J3L · PDBe 5J3L · UniProt P9WMC0

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