MolNFT v1 · #24509 · protein

Adenovirus AD37 fibre head

1UXE · Fiber protein: “Adenovirus AD37 fibre head”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.70). MolNFT v1 #24509 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1UXE
Type: protein
Length: 550 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fiber protein
UniProt: Q64823
Ligands: ZN
Pockets: 4 · 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	Q64823
B, C	Fiber protein	protein	183	3% helix, 44% strand	Q64823

Ligands and binding sites

ZN · Zinc ion · metal · 3 copies · chains A, B, C
ACT · Acetate ion · additive · 2 copies · chains A, B, C

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	416	0.70	0.81	46	empty
2	51	0.38	0.81	15	empty
3	54	0.37	0.80	17	empty
4	79	0.33	0.75	17	empty

Interfaces

3 interfaces between chains.

A–B · 1072 Å² buried · 21 hydrogen bonds · protein-protein
A–C · 1059 Å² buried · 18 hydrogen bonds · protein-protein
B–C · 1041 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

1UXE · Adenovirus AD37 fibre head · 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 Q64823
Elsewhere: RCSB PDB 1UXE · PDBe 1UXE · UniProt Q64823

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