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Crystal structure of toxt from vibrio cholerae O395 bound to (E)-4-(8- methylnaphthalen-1-YL)BUT-3-enoic acid

Analyse Crystal structure of toxt from vibrio cholerae O395 bound to (E)-4-(8… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5SUX
Type: protein
Length: 267 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Arac family transcriptional regulator
UniProt: Q7BGC0
Ligands: 70H
Pockets: 3 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Arac family transcriptional regulator	protein	267	41% helix, 22% strand	Q7BGC0

Ligands and binding sites

70H · (3E)-4-(8-methylnaphthalen-1-yl)but-3-enoic acid · ligand · chains A
MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	154	0.82	0.97	24	70H
2	151	0.44	0.76	26	empty
3	90	0.32	0.73	21	MES

Compared structures

5SUX · Crystal Structure of ToxT from Vibrio Cholerae O395 bound to… · the same entry in another collection · chain A against A, TM-score 1.00

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Every structure of UniProt Q7BGC0
Elsewhere: RCSB PDB 5SUX · PDBe 5SUX · UniProt Q7BGC0

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