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The crystal structure of scoe in complex with intermediate

Analyse The crystal structure of scoe in complex with intermediate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7SCP
Type
protein
Length
294 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Scoe protein
UniProt
A0A3B6UEU3
Ligands
8S6, FE2
Pockets
2 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AScoe proteinprotein29421% helix, 27% strandA0A3B6UEU3

Ligands and binding sites

  • 8S6 · (3R)-3-(oxaloamino)butanoic acid · ligand · chains A
  • FE2 · Fe (II) ion · metal · chains A
  • EDO · 1,2-ethanediol · additive · 15 copies · chains A
  • GOL · Glycerol · additive · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11450.820.9837FE2, 8S6, GOL
2640.310.7517EDO

Compared structures

  • 7SCP · The crystal structure of ScoE in complex with intermediate · the same entry in another collection · chain A against A, TM-score 1.00

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