GL1X · GenesisL1 explorer

MolNFT v1 · #105838 · protein

Spore photoproduct lyase C140A/S76C mutant with bound adomet and dinucleoside spore photoproduct

4RH1: “Spore photoproduct lyase C140A/S76C mutant with bound adomet and dinucleoside spore photoproduct”. X-ray diffraction, 4 ligands (SF4, EEM, 0TT), 3 pockets (best druggability 0.78). MolNFT v1 #105838 on GenesisL1: 3D structure…

PDB
4RH1
Type
protein
Length
340 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spore photoproduct lyase
EC
4.1.99.14
UniProt
A4IQU1
Ligands
SF4, EEM, 0TT, SO4
Pockets
3 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASpore photoproduct lyase (EC 4.1.99.14)protein34038% helix, 21% strandA4IQU1

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · chains A
  • EEM · [(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium · ligand · chains A
  • 0TT · 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-[[(5R)-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-2,4-bis(oxidanylidene)-1,3-diazinan-5-yl]methyl]pyrimidine-2,4-dione · ligand · chains A
  • SO4 · Sulfate ion · ion · 6 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16390.780.8363SF4, EEM, SO4, 0TT
21040.380.7517empty
3740.340.7613empty

Compared structures

  • 4RH1 · Spore photoproduct lyase C140A/S76C mutant with bound AdoMet and dinucleoside spore… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.