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Crystal structure of taiwan cobra cardiotoxin A3 complexed with sulfogalactoceramide

Analyse Crystal structure of taiwan cobra cardiotoxin A3 complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2BHI
Type: protein
Length: 120 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cytotoxin 3
UniProt: P01444
Ligands: C10, SFT
Pockets: 1 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Cytotoxin 3	protein	60	0% helix, 40% strand	P01444

Ligands and binding sites

C10 · Hexaethylene glycol monodecyl ether · ligand · 11 copies · chains A, B
SFT · Sulfogalactoceramide · ligand · chains A, B

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

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	274	0.60	0.78	38	C10

Interfaces

1 interface between chains.

A–B · 549 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

2BHI · Crystal structure of Taiwan cobra cardiotoxin A3 complexed with sulfogalactoceramide · 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 P01444
Elsewhere: RCSB PDB 2BHI · PDBe 2BHI · UniProt P01444

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