MolNFT v1 · #86594 · protein

The structure of vaccinia virus N1 R58Y mutant

4BBD · N1L: “The structure of vaccinia virus N1 R58Y mutant”. X-ray diffraction, 10 pockets (best druggability 0.71). MolNFT v1 #86594 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4BBD
Type: protein
Length: 679 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: N1L
UniProt: Q49PX0
Pockets: 10 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 78% 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	109	80% helix, 0% strand	Q49PX0

Pockets

10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	573	0.71	0.80	55	empty
2	825	0.70	0.76	48	empty
3	253	0.50	0.74	22	empty
4	181	0.46	0.75	22	empty
5	157	0.45	0.76	21	empty

Interfaces

8 interfaces between chains.

A–F · 1035 Å² buried · 21 hydrogen bonds · protein-protein
B–E · 1025 Å² buried · 21 hydrogen bonds · protein-protein
C–D · 838 Å² buried · 16 hydrogen bonds · protein-protein
E–F · 560 Å² buried · 3 hydrogen bonds · protein-protein
B–C · 284 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

4BBD · The structure of vaccinia virus N1 R58Y 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 4BBD · PDBe 4BBD · UniProt Q49PX0

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