MolNFT v1 · #113332 · protein

Structure-based energetics of protein interfaces guide foot-and-mouth disease virus vaccine design

5ACA · VP1: “Structure-based energetics of protein interfaces guide foot-and-mouth disease virus vaccine design”. Electron microscopy, 6 pockets (best druggability 0.74). MolNFT v1 #113332 on GenesisL1: 3D structure, binding sites and…

PDB: 5ACA
Type: protein
Length: 665 residues
Chains: 4
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: VP1; VP2; VP3; VP4
UniProt: Q1L764
Pockets: 6 · best druggability 0.74

Structure

electron microscopy · 4 distinct chains · 10% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
1	VP1	protein	189	9% helix, 31% strand	Q1L764
2	VP2	protein	207	9% helix, 43% strand	Q1L764
3	VP3	protein	222	9% helix, 27% strand	Q1L764
4	VP4	protein	47	21% helix, 0% strand	Q1L764

Pockets

6 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	1054	0.74	0.77	79	empty
2	636	0.72	0.80	55	empty
3	477	0.67	0.78	44	empty
4	201	0.53	0.78	24	empty
5	54	0.29	0.75	21	empty

Interfaces

6 interfaces between chains.

1–2 · 1528 Å² buried · 19 hydrogen bonds · protein-protein
1–3 · 1188 Å² buried · 9 hydrogen bonds · protein-protein
2–3 · 937 Å² buried · 5 hydrogen bonds · protein-protein
1–4 · 784 Å² buried · 7 hydrogen bonds · protein-protein
2–4 · 259 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

5ACA · Structure-based energetics of protein interfaces guide Foot-and-Mouth disease virus… · the same entry in another collection · chain 1 against 1, 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 Q1L764
Elsewhere: RCSB PDB 5ACA · PDBe 5ACA · UniProt Q1L764

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