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MolNFT v1 · #121617 · protein

D-cysteine bound C93A mutant of cysteine dioxygenase at pH 8

5I0R · Cysteine dioxygenase type 1: “D-cysteine bound C93A mutant of cysteine dioxygenase at pH 8”. X-ray diffraction, 3 ligands (DCY, FE, CL), 1 pocket (best druggability 0.56). MolNFT v1 #121617 on GenesisL1: 3D structure, binding sites…

PDB
5I0R
Type
protein
Length
186 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
DCY, FE, CL
Pockets
1 · best druggability 0.56

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ACysteine dioxygenase type 1 (EC 1.13.11.20)protein18615% helix, 35% strandP21816

Ligands and binding sites

  • DCY · D-cysteine · ligand · chains A
  • 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
11070.560.8427FE, DCY, CL

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 5I0R · D-cysteine bound C93A mutant of Cysteine Dioxygenase at pH 8 · 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 1.00

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