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Spore photoproduct lyase C140A/S76C mutant with bound adomet

Analyse Spore photoproduct lyase C140A/S76C mutant with bound adomet in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4RH0
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
EEM, SF4, SO4
Pockets
3 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASpore photoproduct lyase (EC 4.1.99.14)protein34038% helix, 22% strandA4IQU1

Ligands and binding sites

  • 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
  • SF4 · Iron/sulfur cluster · ligand · chains A
  • SO4 · Sulfate ion · ion · 6 copies · chains A
  • EDO · 1,2-ethanediol · additive · 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
19390.790.8191EEM, SO4, EDO, SF4
2510.310.7711empty
3500.280.7410empty

Compared structures

  • 4RH0 · Spore photoproduct lyase C140A/S76C mutant with bound AdoMet · the same entry in another collection · chain A against A, TM-score 1.00

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