MolNFT v1 · #32553 · protein

Solution NMR structure of the complex of alpha-bungarotoxin with a library derived peptide, NMR, minimized average structure

2BTX: “Solution NMR structure of the complex of alpha-bungarotoxin with a library derived peptide, NMR, minimized…”. Solution nmr, 1 pocket (best druggability 0.28). MolNFT v1 #32553 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 2BTX
Type: protein
Length: 87 residues
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-bungarotoxin; Library derived peptide
UniProt: P60615
Pockets: 1 · best druggability 0.28

Structure

solution nmr · 2 distinct chains · 0% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Alpha-bungarotoxin	protein	74	0% helix, 26% strand	P60615
B	Library derived peptide	protein	13	0% helix, 0% strand	—

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	60	0.28	0.74	14	empty

Interfaces

1 interface between chains.

A–B · 562 Å² buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

2BTX · Solution NMR structure of the complex of alpha-bungarotoxin with a library derived… · the same entry in another collection · chain A against A, TM-score 1.00
P60615 · AlphaFold monomer V2.0 prediction for alpha-bungarotoxin (P60615) · 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 P60615
Elsewhere: RCSB PDB 2BTX · PDBe 2BTX · UniProt P60615

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