MolNFT v1 · #107562 · protein

Structure of the bovine atadenovirus type 4 fibre head protein

4UE0 · Fiber: “Structure of the bovine atadenovirus type 4 fibre head protein”. X-ray diffraction, 2 ligands (CO3, SCN), 4 pockets (best druggability 0.78). MolNFT v1 #107562 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4UE0
Type: protein
Length: 345 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fiber
UniProt: Q997H2
Ligands: CO3, SCN
Pockets: 4 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 57% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Fiber	protein	115	3% helix, 57% strand	Q997H2

Ligands and binding sites

CO3 · Carbonate ion · ion · chains B
SCN · Thiocyanate ion · ion · chains 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	905	0.78	0.81	76	empty
2	91	0.40	0.77	16	empty
3	83	0.40	0.78	16	empty
4	90	0.40	0.77	16	empty

Interfaces

3 interfaces between chains.

B–C · 707 Å² buried · 11 hydrogen bonds · protein-protein
A–C · 703 Å² buried · 10 hydrogen bonds · protein-protein
A–B · 700 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

4UE0 · Structure of the bovine atadenovirus type 4 fibre head protein · 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 Q997H2
Elsewhere: RCSB PDB 4UE0 · PDBe 4UE0 · UniProt Q997H2

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