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Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory compound

Analyse Mycobacterium tuberculosis transcriptional regulator ethr with bound inhibitory… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7NGG
Type: protein
Length: 194 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hth-type transcriptional regulator ethr
UniProt: P9WMC1
Ligands: U9W
Pockets: 1 · best druggability 0.74

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
C	Hth-type transcriptional regulator ethr	protein	194	78% helix, 0% strand	P9WMC1

Ligands and binding sites

U9W · ~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide · ligand · chains C

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	178	0.74	0.90	31	U9W

Compared structures

7NGG · Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound · the same entry in another collection · chain C against C, TM-score 1.00
P9WMC1 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator ethr (P9WMC1) · a predicted model of the same protein · chain C 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 P9WMC1
Elsewhere: RCSB PDB 7NGG · PDBe 7NGG · UniProt P9WMC1

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