Research workbench

BT1043 with N-acetyllactosamine

Analyse BT1043 with N-acetyllactosamine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3EHN
Type: protein
Length: 1,026 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Susd homolog
UniProt: Q8A8X4
Ligands: NDG, GAL
Pockets: 9 · best druggability 0.48

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Susd homolog	protein	514	50% helix, 6% strand	Q8A8X4
B	Susd homolog	protein	512	49% helix, 5% strand	Q8A8X4

Ligands and binding sites

NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · 2 copies · chains A, B
GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B

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

Pockets

9 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	96	0.48	0.81	15	empty
2	95	0.47	0.80	16	empty
3	168	0.47	0.76	28	empty
4	126	0.46	0.78	26	empty
5	157	0.46	0.76	27	empty

Interfaces

1 interface between chains.

A–B · 609 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

3EHN · BT1043 with N-acetyllactosamine · 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 Q8A8X4
Elsewhere: RCSB PDB 3EHN · PDBe 3EHN · UniProt Q8A8X4

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