MolNFT v1 · #181423 · protein

Burkholderia pseudomallei disulfide bond forming protein a (dsba) liganded with fragment bromophenoxy propanamide

7LUH · THIOL:DISULFIDE interchange protein: “Burkholderia pseudomallei disulfide bond forming protein a (dsba) liganded with fragment bromophenoxy…”. X-ray diffraction, 1 ligand (YCS), 1 pocket (best druggability 0.40). MolNFT v1 #181423…

PDB: 7LUH
Type: protein
Length: 191 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: THIOL:DISULFIDE interchange protein
UniProt: Q63Y08
Ligands: YCS
Pockets: 1 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 54% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	THIOL:DISULFIDE interchange protein	protein	191	54% helix, 13% strand	Q63Y08

Ligands and binding sites

YCS · (2~{R})-2-(4-bromanylphenoxy)propanamide · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	119	0.40	0.75	19	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

7LUH · Burkholderia pseudomallei Disulfide bond forming protein A (DsbA) liganded with fragment… · 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 Q63Y08
Elsewhere: RCSB PDB 7LUH · PDBe 7LUH · UniProt Q63Y08

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