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Crystal structure of mahoney strain of poliovirus at 2.2A resolution

Analyse Crystal structure of mahoney strain of poliovirus at 2.2A resolution in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1HXS
Type: protein
Length: 858 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Genome polyprotein, coat protein VP1; Genome polyprotein, coat protein VP2; Genome…
UniProt: P03300
Ligands: PLM, MYR
Pockets: 13 · best druggability 0.77

Structure

x-ray diffraction · 4 distinct chains · 10% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
1	Genome polyprotein, coat protein VP1	protein	288	9% helix, 32% strand	P03300
2	Genome polyprotein, coat protein VP2	protein	267	14% helix, 37% strand	P03300
3	Genome polyprotein, coat protein VP3	protein	235	8% helix, 30% strand	P03300
4	Genome polyprotein, coat protein VP4	protein	68	10% helix, 16% strand	P03300

Ligands and binding sites

PLM · Palmitic acid · ligand · chains 1, 3
MYR · Myristic acid · ligand · chains 1, 4

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

13 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	322	0.77	0.88	58	PLM
2	138	0.47	0.78	28	empty
3	80	0.41	0.79	18	empty
4	167	0.41	0.73	21	empty
5	79	0.36	0.76	16	empty

Interfaces

6 interfaces between chains.

1–3 · 3949 Å² buried · 70 hydrogen bonds · protein-protein
1–2 · 2388 Å² buried · 35 hydrogen bonds · protein-protein
2–3 · 1675 Å² buried · 21 hydrogen bonds · protein-protein
1–4 · 1409 Å² buried · 26 hydrogen bonds · protein-protein
3–4 · 868 Å² buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 lipid (myristoylation).

Compared structures

1HXS · Crystal structure of mahoney strain of poliovirus at 2.2A resolution · 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 P03300
Elsewhere: RCSB PDB 1HXS · PDBe 1HXS · UniProt P03300

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