MolNFT v1 · #166516 · protein

Influenza a M2 proton channel wild type tm domain bound to R- rimantadine

6US9 · Matrix protein 2: “Influenza a M2 proton channel wild type tm domain bound to R- rimantadine”. X-ray diffraction, 3 ligands (RIM, NH2, CL), 8 pockets (best druggability 0.82). MolNFT v1 #166516 on GenesisL1: 3D structure, binding…

PDB: 6US9
Type: protein
Length: 376 residues
Chains: 16
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Matrix protein 2
UniProt: D5F6K1
Ligands: RIM, NH2, CL
Pockets: 8 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 89% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, E, G, H, I, L, N	Matrix protein 2	protein	24	88% helix, 0% strand	D5F6K1
C, D, F, J, K, M, O, P	Matrix protein 2	protein	23	91% helix, 0% strand	D5F6K1

Ligands and binding sites

RIM · Rimantadine · ligand · 4 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
NH2 · Amino group · ion · 16 copies · chains A, B, L, C, D, N, E, F, G, H, I, J, K, M, O, P
CL · Chloride ion · ion · 4 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P

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

Pockets

8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	183	0.82	0.97	30	RIM
2	173	0.82	0.97	29	RIM
3	180	0.82	0.97	30	RIM
4	170	0.81	0.97	29	RIM
5	1110	0.77	0.79	63	CL

Interfaces

40 interfaces between chains.

I–L · 498 Å² buried · 3 hydrogen bonds · protein-protein
K–L · 496 Å² buried · 2 hydrogen bonds · protein-protein
E–H · 494 Å² buried · 1 hydrogen bond · protein-protein
G–H · 493 Å² buried · 2 hydrogen bonds · protein-protein
A–B · 492 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

6US9 · Influenza A M2 proton channel wild type TM domain bound to R-rimantadine · 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 D5F6K1
Elsewhere: RCSB PDB 6US9 · PDBe 6US9 · UniProt D5F6K1

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.