Research workbench

Adenovirus AD19P fibre head in complex with sialyl-lactose

Analyse Adenovirus AD19P fibre head in complex with sialyl-lactose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1UXB
Type: protein
Length: 550 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fiber protein
UniProt: Q64822
Ligands: GAL, SIA, ZN
Pockets: 1 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Fiber protein	protein	184	5% helix, 44% strand	Q64822
B, C	Fiber protein	protein	183	3% helix, 44% strand	Q64822

Ligands and binding sites

GAL · beta-D-galactopyranose · sugar · 3 copies · chains B, C
SIA · N-acetyl-alpha-neuraminic acid · sugar · 3 copies · chains A, B, C
ZN · Zinc ion · metal · 3 copies · chains A, B, C
ACT · Acetate ion · additive · 3 copies · chains A, B, C

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	372	0.70	0.82	40	empty

Interfaces

3 interfaces between chains.

B–C · 1103 Å² buried · 21 hydrogen bonds · protein-protein
A–B · 1079 Å² buried · 25 hydrogen bonds · protein-protein
A–C · 1055 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

1UXB · ADENOVIRUS AD19p FIBRE HEAD in complex with sialyl-lactose · 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 Q64822
Elsewhere: RCSB PDB 1UXB · PDBe 1UXB · UniProt Q64822

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