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MolNFT v1 · #128840 · protein

Lytic transglycosylase in action

5O2N: “Lytic transglycosylase in action”. X-ray diffraction, 2 ligands (NAG, NDG), 6 pockets (best druggability 0.47). MolNFT v1 #128840 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5O2N
Type
protein
Length
577 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transglycosylase
EC
4.2.2.-
UniProt
A0A0Y5YPU4
Ligands
NAG, NDG
Pockets
6 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATransglycosylase (EC 4.2.2.-)protein57767% helix, 1% strandA0A0Y5YPU4

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
  • NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · chains A
  • FLC · Citrate anion · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11850.470.7628empty
21320.460.7819empty
31960.430.7332NAG
4870.380.7619NDG, NAG
5840.360.7619empty

Modifications

Observed in the structure: 13 modified, 1 disulfide (engineered, disulfide).

Compared structures

  • 5O2N · Lytic transglycosylase in action · the same entry in another collection · chain A against A, TM-score 1.00

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