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MolNFT v1 · #109848 · protein

Fe-cl bound Y157F cdo at pH ~7.0 in the presence of azide

4XET · Cysteine dioxygenase type 1: “Fe-cl bound Y157F cdo at pH ~7.0 in the presence of azide”. X-ray diffraction, 2 ligands (FE, CL), 1 pocket (best druggability 0.55). MolNFT v1 #109848 on GenesisL1: 3D structure, binding sites and…

PDB
4XET
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
FE, CL
Pockets
1 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACysteine dioxygenase type 1 (EC 1.13.11.20)protein18715% helix, 35% strandP21816

Ligands and binding sites

  • FE · Fe (III) ion · metal · chains A
  • CL · Chloride ion · ion · 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
1940.550.8526CL

Compared structures

  • 4XET · Fe-Cl bound Y157F CDO at pH ~7.0 in the presence of azide · 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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