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Crystal structure of an unusual kunitz-type trypsin inhibitor from copaifera langsdorffii seeds

Analyse Crystal structure of an unusual kunitz-type trypsin inhibitor from copaifera… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1R8O
Type: protein
Length: 167 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Kunitz trypsin inhibitor
UniProt: P84144, P84145
Pockets: 1 · best druggability 0.32

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Kunitz trypsin inhibitor	protein	96	0% helix, 30% strand	P84144
B	Kunitz trypsin inhibitor	protein	71	0% helix, 48% strand	P84145

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	68	0.32	0.74	15	empty

Interfaces

1 interface between chains.

A–B · 2341 Å² buried · 41 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

1R8O · Crystal structure of an unusual Kunitz-type trypsin inhibitor from Copaifera langsdorffii… · the same entry in another collection · chain A against A, TM-score 1.00

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Every structure of UniProt P84144
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Elsewhere: RCSB PDB 1R8O · PDBe 1R8O · UniProt P84144 · UniProt P84145

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