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Rat cysteine dioxygenase with 3-mercaptopropionic acid persulfide bound

Analyse Rat cysteine dioxygenase with 3-mercaptopropionic acid persulfide bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4KWL
Type
protein
Length
187 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cysteine dioxygenase type 1
EC
1.13.11.20
UniProt
P21816
Ligands
3SS, FE2
Pockets
1 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACysteine dioxygenase type 1 (EC 1.13.11.20)protein18717% helix, 36% strandP21816

Ligands and binding sites

  • 3SS · 3-disulfanylpropanoic acid · ligand · chains A
  • FE2 · Fe (II) ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1830.580.8725FE2, 3SS

Compared structures

  • 4KWL · Rat cysteine dioxygenase with 3-mercaptopropionic acid persulfide bound · the same entry in another collection · chain A against A, TM-score 1.00
  • P21816 · AlphaFold monomer V2.0 prediction for cysteine dioxygenase type 1 (P21816) · a predicted model of the same protein · chain A against A, TM-score 0.99

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