MolNFT v1 · #113331 · protein

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

5AC9 · VP1: “Structure-based energetics of protein interfaces guide foot-and-mouth disease virus vaccine design”. Electron microscopy, 5 pockets (best druggability 0.74). MolNFT v1 #113331 on GenesisL1: 3D structure, binding sites and…

PDB: 5AC9
Type: protein
Length: 658 residues
Chains: 4
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: VP1; VP3; VP2; VP4
UniProt: Q6PMW3
Pockets: 5 · 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	186	12% helix, 28% strand	Q6PMW3
2	VP3	protein	207	10% helix, 39% strand	Q6PMW3
3	VP2	protein	220	8% helix, 31% strand	Q6PMW3
4	VP4	protein	45	16% helix, 2% strand	Q6PMW3

Pockets

5 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	1198	0.74	0.77	105	empty
2	635	0.72	0.79	67	empty
3	267	0.54	0.76	28	empty
4	128	0.46	0.78	19	empty
5	61	0.33	0.77	17	empty

Interfaces

6 interfaces between chains.

1–2 · 1316 Å² buried · 18 hydrogen bonds · protein-protein
1–3 · 1020 Å² buried · 18 hydrogen bonds · protein-protein
2–3 · 913 Å² buried · 12 hydrogen bonds · protein-protein
1–4 · 770 Å² buried · 14 hydrogen bonds · protein-protein
2–4 · 245 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

5AC9 · 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 Q6PMW3
Elsewhere: RCSB PDB 5AC9 · PDBe 5AC9 · UniProt Q6PMW3

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