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Structural genomics, the crystal structure of a rok family protein from streptococcus pneumoniae TIGR4 in complex with sucrose

Analyse Structural genomics, the crystal structure of a rok family protein from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2GUP
Type: protein
Length: 289 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Rok family protein
Ligands: GLC, FRU
Pockets: 1 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Rok family protein	protein	289	42% helix, 22% strand	—

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 3 copies · chains A
FRU · beta-D-fructofuranose · sugar · 3 copies · chains A
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 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	334	0.54	0.75	50	FRU, TRS

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

2GUP · Structural Genomics, the crystal structure of a ROK family protein from Streptococcus… · 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
Elsewhere: RCSB PDB 2GUP · PDBe 2GUP

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