MolNFT v1 · #86593 · protein

The structure of vaccinia virus N1 R71Y mutant

4BBC · N1L: “The structure of vaccinia virus N1 R71Y mutant”. X-ray diffraction, 10 pockets (best druggability 0.72). MolNFT v1 #86593 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4BBC
Type: protein
Length: 682 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: N1L
UniProt: Q49PX0
Pockets: 10 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, E, F	N1L	protein	114	77% helix, 0% strand	Q49PX0
D	N1L	protein	112	77% helix, 0% strand	Q49PX0

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	798	0.72	0.78	70	empty
2	357	0.66	0.80	33	empty
3	245	0.60	0.80	34	empty
4	308	0.56	0.76	28	empty
5	184	0.47	0.76	21	empty

Interfaces

8 interfaces between chains.

B–E · 1041 Å² buried · 19 hydrogen bonds · protein-protein
A–F · 1009 Å² buried · 23 hydrogen bonds · protein-protein
C–D · 955 Å² buried · 21 hydrogen bonds · protein-protein
E–F · 504 Å² buried · 6 hydrogen bonds · protein-protein
B–C · 290 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

4BBC · The structure of vaccinia virus N1 R71Y mutant · 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 Q49PX0
Elsewhere: RCSB PDB 4BBC · PDBe 4BBC · UniProt Q49PX0

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