MolNFT v1 · #160864 · protein

Mscs nanodisc with N-terminal his-tag

6PWN · Small-conductance mechanosensitive channel: “Mscs nanodisc with N-terminal his-tag”. Electron microscopy, 2 ligands (POV, R16), 20 pockets (best druggability 0.79). MolNFT v1 #160864 on GenesisL1: 3D structure, binding sites and…

PDB: 6PWN
Type: protein
Length: 1,960 residues
Chains: 7
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Small-conductance mechanosensitive channel
UniProt: P0C0S1
Ligands: POV, R16
Pockets: 20 · best druggability 0.79

Structure

electron microscopy · 1 distinct chain · 50% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G	Small-conductance mechanosensitive channel	protein	280	50% helix, 21% strand	P0C0S1

Ligands and binding sites

POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate · ligand · 7 copies · chains A, B, C, D, E, F, G
R16 · Hexadecane · ligand · 7 copies · chains A, B, C, D, E, F, G

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

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	399	0.79	0.87	28	empty
2	954	0.70	0.74	47	R16
3	328	0.63	0.79	49	empty
4	105	0.61	0.87	19	empty
5	123	0.61	0.86	20	empty

Interfaces

14 interfaces between chains.

B–C · 3102 Å² buried · 26 hydrogen bonds · protein-protein
A–G · 3099 Å² buried · 26 hydrogen bonds · protein-protein
E–F · 3097 Å² buried · 27 hydrogen bonds · protein-protein
D–E · 3088 Å² buried · 28 hydrogen bonds · protein-protein
C–D · 3088 Å² buried · 25 hydrogen bonds · protein-protein

Compared structures

6PWN · MscS Nanodisc with N-terminal His-Tag · the same entry in another collection · chain G against G, TM-score 1.00
P0C0S1 · AlphaFold monomer V2.0 prediction for small-conductance mechanosensitive channel (P0C0S1) · a predicted model of the same protein · chain A against A, TM-score 0.74

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 P0C0S1
Elsewhere: RCSB PDB 6PWN · PDBe 6PWN · UniProt P0C0S1

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