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Crystal structure of amycolatopsis orientalis BEXX/CYSO complex

Analyse Crystal structure of amycolatopsis orientalis BEXX/CYSO complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4N6E
Type: protein
Length: 333 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative thiosugar synthase; THIS/MOAD family protein
UniProt: D7RFL7
Ligands: SO4
Pockets: 1 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative thiosugar synthase	protein	244	41% helix, 18% strand	D7RFL7
B	THIS/MOAD family protein	protein	89	29% helix, 33% strand	—

Ligands and binding sites

SO4 · Sulfate ion · ion · 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	115	0.62	0.87	27	SO4

Interfaces

1 interface between chains.

A–B · 1113 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

4N6E · Crystal structure of Amycolatopsis orientalis BexX/CysO complex · 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 D7RFL7
Elsewhere: RCSB PDB 4N6E · PDBe 4N6E · UniProt D7RFL7

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