MolNFT v1 · #18020 · protein

Crystal structure of a bowman-birk inhibitor from pea seeds

1PBI · Bowman-birk proteinase inhibitor: “Crystal structure of a bowman-birk inhibitor from pea seeds”. X-ray diffraction, 2 pockets (best druggability 0.36). MolNFT v1 #18020 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1PBI
Type: protein
Length: 136 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bowman-birk proteinase inhibitor
UniProt: P56679
Pockets: 2 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Bowman-birk proteinase inhibitor	protein	68	0% helix, 34% strand	P56679

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	69	0.36	0.77	21	empty
2	52	0.30	0.76	18	empty

Interfaces

1 interface between chains.

A–B · 1439 Å² buried · 31 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 disulfide (disulfide).

Compared structures

1PBI · Crystal structure of a bowman-birk inhibitor from pea seeds · the same entry in another collection · chain A against A, TM-score 1.00
P56679 · AlphaFold monomer V2.0 prediction for seed TRYPSIN/CHYMOTRYPSIN inhibitor ivb (P56679) · a predicted model of the same protein · chain A against A, TM-score 0.82

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 P56679
Elsewhere: RCSB PDB 1PBI · PDBe 1PBI · UniProt P56679

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