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MolNFT v1 · #98025 · protein

A new stabilizing water structure at the substrate binding site in ribosome inactivating protein from momordica balsamina at 1.80 a resolution

4KWN · RRNA N-glycosidase: “A new stabilizing water structure at the substrate binding site in ribosome inactivating protein from…”. X-ray diffraction, 1 ligand (NAG), 2 pockets (best druggability 0.48). MolNFT v1 #98025 on GenesisL1: 3D…

PDB
4KWN
Type
protein
Length
246 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RRNA N-glycosidase
EC
3.2.2.22
UniProt
D9J2T9
Ligands
NAG
Pockets
2 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARRNA N-glycosidase (EC 3.2.2.22)protein24643% helix, 24% strandD9J2T9

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
  • GOL · Glycerol · additive · 2 copies · 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
11420.480.7819empty
2700.330.7514empty

Modifications

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

Compared structures

  • 4KWN · A new stabilizing water structure at the substrate binding site in ribosome inactivating… · the same entry in another collection · chain A against A, TM-score 1.00

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