MolNFT v1 · #1720 · protein

Soybean trypsin inhibitor

1BA7 · Trypsin inhibitor (kunitz): “Soybean trypsin inhibitor”. X-ray diffraction, 2 pockets (best druggability 0.47). MolNFT v1 #1720 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1BA7
Type: protein
Length: 334 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Trypsin inhibitor (kunitz)
UniProt: P01070
Pockets: 2 · best druggability 0.47

Structure

x-ray diffraction · 2 distinct chains · 2% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Trypsin inhibitor (kunitz)	protein	165	2% helix, 42% strand	P01070
B	Trypsin inhibitor (kunitz)	protein	169	2% helix, 43% strand	P01070

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	148	0.47	0.77	29	empty
2	171	0.45	0.75	26	empty

Interfaces

1 interface between chains.

A–B · 271 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

1BA7 · Soybean trypsin inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
P01070 · AlphaFold monomer V2.0 prediction for trypsin inhibitor a (P01070) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P01070
Elsewhere: RCSB PDB 1BA7 · PDBe 1BA7 · UniProt P01070

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