MolNFT v1 · #49922 · protein

Crystal structure of a bowman-birk inhibitor from vigna unguiculata seeds

2R33 · Bowman-birk type seed trypsin and chymotrypsin inhibitor: “Crystal structure of a bowman-birk inhibitor from vigna unguiculata seeds”. X-ray diffraction, 1 pocket (best druggability 0.78). MolNFT v1 #49922 on GenesisL1: 3D…

PDB: 2R33
Type: protein
Length: 112 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bowman-birk type seed trypsin and chymotrypsin inhibitor
Pockets: 1 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bowman-birk type seed trypsin and chymotrypsin inhibitor	protein	55	0% helix, 33% strand	—
B	Bowman-birk type seed trypsin and chymotrypsin inhibitor	protein	57	0% helix, 30% 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	175	0.78	0.94	37	empty

Interfaces

1 interface between chains.

A–B · 566 Å² buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 13 disulfide (disulfide).

Compared structures

2R33 · Crystal structure of a Bowman-Birk inhibitor from Vigna unguiculata seeds · 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 2R33 · PDBe 2R33

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