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A simplified bpti variant stabilized by the A14G and A38V substitutions

Analyse A simplified bpti variant stabilized by the A14G and A38V substitutions in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3AUB
Type: protein
Length: 116 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bovine pancreatic trypsin inhibitor
Pockets: 2 · best druggability 0.32

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Bovine pancreatic trypsin inhibitor	protein	58	21% helix, 26% strand	—

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	65	0.32	0.75	19	empty
2	62	0.29	0.74	12	empty

Interfaces

1 interface between chains.

A–B · 294 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

3AUB · A simplified BPTI variant stabilized by the A14G and A38V substitutions · 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 3AUB · PDBe 3AUB

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