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MolNFT v1 · #67380 · protein

Crystal structure of miraculin like protein from seeds of murraya koenigii

3IIR · Trypsin inhibitor: “Crystal structure of miraculin like protein from seeds of murraya koenigii”. X-ray diffraction, 6 pockets (best druggability 0.40). MolNFT v1 #67380 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3IIR
Type
protein
Length
380 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trypsin inhibitor
UniProt
D3G8R9
Pockets
6 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTrypsin inhibitorprotein1903% helix, 36% strandD3G8R9

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1750.400.7926empty
2810.380.7720empty
3930.350.7421empty
4820.330.7422empty
5680.310.7516empty

Interfaces

1 interface between chains.

  • A–B · 790 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 3IIR · Crystal Structure of Miraculin like protein from seeds of Murraya koenigii · the same entry in another collection · chain A against A, TM-score 1.00

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