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Crystal structure of alpha-momorcharin in complex with ADP

Analyse Crystal structure of alpha-momorcharin in complex with ADP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6LOR
Type
protein
Length
245 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribosome-inactivating protein momordin I
EC
3.2.2.22
UniProt
P16094
Ligands
ADP, NAG
Pockets
2 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibosome-inactivating protein momordin I (EC 3.2.2.22)protein24541% helix, 25% strandP16094

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11240.480.7922ADP
2720.390.7816empty

Modifications

Observed in the structure: 1 glycan (N-glycosylation).

Compared structures

  • 6LOR · crystal structure of alpha-momorcharin in complex with ADP · the same entry in another collection · chain A against A, TM-score 1.00
  • P16094 · AlphaFold monomer V2.0 prediction for ribosome-inactivating protein momordin I (P16094) · a predicted model of the same protein · chain A against A, TM-score 1.00

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