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Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in complex with 1-(pyrrolidin-1-yl)-3- (tetrahydrofuran-3-YL)PROPAN-1-one at 1.81A 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: 5J1Y
Type: protein
Length: 193 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ethr
UniProt: A0A045KCS8
Ligands: P87
Pockets: 1 · best druggability 0.72

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ethr	protein	193	77% helix, 0% strand	A0A045KCS8

Ligands and binding sites

P87 · 3-[(3S)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one · ligand · 2 copies · 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	163	0.72	0.89	26	P87

Compared structures

5J1Y · Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium… · the same entry in another collection · chain A against A, TM-score 1.00

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Every structure of UniProt A0A045KCS8
Elsewhere: RCSB PDB 5J1Y · PDBe 5J1Y · UniProt A0A045KCS8

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