MolNFT v1 · #41933 · protein

Solution structure of an N-glycosylated protein using in vitro glycosylation

2K33 · Acra: “Solution structure of an N-glycosylated protein using in vitro glycosylation”. Solution nmr, 3 ligands (B6D, A2G, BGC), 1 pocket (best druggability 0.47). MolNFT v1 #41933 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 2K33
Type: protein
Length: 116 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acra
UniProt: Q8RTE5
Ligands: B6D, A2G, BGC
Pockets: 1 · best druggability 0.47

Structure

solution nmr · 1 distinct chain · 0% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acra	protein	116	0% helix, 26% strand	Q8RTE5

Ligands and binding sites

B6D · 2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose · ligand · chains A
A2G · 2-acetamido-2-deoxy-alpha-D-galactopyranose · sugar · 5 copies · chains A
BGC · beta-D-glucopyranose · sugar

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	203	0.47	0.75	32	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

2K33 · Solution structure of an N-glycosylated protein using in vitro glycosylation · 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 Q8RTE5
Elsewhere: RCSB PDB 2K33 · PDBe 2K33 · UniProt Q8RTE5

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