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Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to spiroadamantyl amine inhibitor, tm + cytosolic helix construct

Analyse Structure of drug-resistant V27A mutant of the influenza M2 proton channel… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6OUG
Type: protein
Length: 273 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Matrix protein 2
UniProt: Q3YPZ4
Ligands: E01
Pockets: 4 · best druggability 0.77

Structure

x-ray diffraction · 4 distinct chains · 80% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Matrix protein 2	protein	35	77% helix, 0% strand	Q3YPZ4
B	Matrix protein 2	protein	33	82% helix, 0% strand	Q3YPZ4
C, D, E, F, G	Matrix protein 2	protein	34	82% helix, 0% strand	Q3YPZ4
H	Matrix protein 2	protein	35	77% helix, 0% strand	Q3YPZ4

Ligands and binding sites

E01 · (1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine · ligand · 2 copies · chains A, B, C, D, E, F, G, H

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	285	0.77	0.89	41	E01
2	306	0.74	0.86	43	E01
3	67	0.29	0.73	15	empty
4	61	0.26	0.72	16	empty

Interfaces

14 interfaces between chains.

A–D · 623 Å² buried · 2 hydrogen bonds · protein-protein
F–G · 549 Å² buried · 3 hydrogen bonds · protein-protein
B–C · 527 Å² buried · 3 hydrogen bonds · protein-protein
E–F · 515 Å² buried · 1 hydrogen bond · protein-protein
C–D · 511 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

6OUG · Structure of drug-resistant V27A mutant of the influenza M2 proton channel bound to… · 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 Q3YPZ4
Elsewhere: RCSB PDB 6OUG · PDBe 6OUG · UniProt Q3YPZ4

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