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Crystal structure of bothropstoxin-I crystallized at 291K

Analyse Crystal structure of bothropstoxin-I crystallized at 291K in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3I3H
Type: protein
Length: 242 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phospholipase A2 homolog bothropstoxin-1
UniProt: Q90249
Pockets: 2 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Phospholipase A2 homolog bothropstoxin-1	protein	121	50% helix, 7% strand	Q90249

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	650	0.77	0.82	57	empty
2	214	0.77	0.91	27	empty

Interfaces

1 interface between chains.

A–B · 760 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 disulfide (disulfide).

Compared structures

3I3H · Crystal structure of Bothropstoxin-I crystallized at 291K · the same entry in another collection · chain A against A, TM-score 1.00
Q90249 · AlphaFold monomer V2.0 prediction for basic phospholipase A2 homolog bothropstoxin-I… · a predicted model of the same protein · chain A against A, TM-score 0.96

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 Q90249
Elsewhere: RCSB PDB 3I3H · PDBe 3I3H · UniProt Q90249

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