MolNFT v1 · #172020 · protein

A lid blocking mechanism of a cone snail toxin revealed at the atomic level

6ZOI · Conknunitzin-C3 mutante: “A lid blocking mechanism of a cone snail toxin revealed at the atomic level”. X-ray diffraction, 1 pocket (best druggability 0.80). MolNFT v1 #172020 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6ZOI
Type: protein
Length: 359 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Conknunitzin-C3 mutante
Pockets: 1 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 22% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, E, F	Conknunitzin-C3 mutante	protein	60	22% helix, 28% strand	—
D	Conknunitzin-C3 mutante	protein	59	22% helix, 29% strand	—

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	810	0.80	0.83	86	empty

Interfaces

11 interfaces between chains.

A–C · 443 Å² buried · 9 hydrogen bonds · protein-protein
B–D · 441 Å² buried · 7 hydrogen bonds · protein-protein
A–B · 284 Å² buried · 5 hydrogen bonds · protein-protein
B–F · 263 Å² buried · 1 hydrogen bond · protein-protein
E–F · 263 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

6ZOI · A lid blocking mechanism of a cone snail toxin revealed at the atomic level · 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
Elsewhere: RCSB PDB 6ZOI · PDBe 6ZOI

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