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Crystal structure of trichosanthin-NADPH complex at 1.7 ångströms resolution reveals active-site architecture

Analyse Crystal structure of trichosanthin-NADPH complex at 1.7 ångströms resolution… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1TCS
Type
protein
Length
247 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trichosanthin
EC
3.2.2.22
UniProt
P09989
Ligands
NDP
Pockets
2 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATrichosanthin (EC 3.2.2.22)protein24740% helix, 25% strandP09989

Ligands and binding sites

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11350.500.8018NDP
2720.330.7413empty

Compared structures

  • 1TCS · Crystal structure of trichosanthin-NADPH complex at 1.7 ångströms resolution reveals… · the same entry in another collection · chain A against A, TM-score 1.00
  • P09989 · AlphaFold monomer V2.0 prediction for ribosome-inactivating protein alpha-trichosanthin… · a predicted model of the same protein · chain A against A, TM-score 0.99

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