MolNFT v1 · #58143 · protein

Simplified bpti variant with poly asn amino acid tag (C5N) at the C- terminus

3AUD · Bovine pancreatic trypsin inhibitor: “Simplified bpti variant with poly asn amino acid tag (C5N) at the C- terminus”. X-ray diffraction, 1 pocket (best druggability 0.54). MolNFT v1 #58143 on GenesisL1: 3D structure, binding sites…

PDB: 3AUD
Type: protein
Length: 169 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bovine pancreatic trypsin inhibitor
Pockets: 1 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Bovine pancreatic trypsin inhibitor	protein	56	21% helix, 27% strand	—
C	Bovine pancreatic trypsin inhibitor	protein	57	21% helix, 26% 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	178	0.54	0.79	45	empty

Interfaces

2 interfaces between chains.

A–B · 403 Å² buried · 2 hydrogen bonds · protein-protein
B–C · 318 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

3AUD · Simplified BPTI variant with poly Asn amino acid tag (C5N) at the C-terminus · 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 3AUD · PDBe 3AUD

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