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MolNFT v1 · #48817 · protein

Ensemble refinement of the protein crystal structure of cysteine dioxygenase type I from mus musculus MM.241056

2Q4S · Cysteine dioxygenase type 1: “Ensemble refinement of the protein crystal structure of cysteine dioxygenase type I from mus musculus…”. X-ray diffraction, 1 ligand (NI), 1 pocket (best druggability 0.62). MolNFT v1 #48817 on…

PDB
2Q4S
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
P60334
Ligands
NI
Pockets
1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACysteine dioxygenase type 1 (EC 1.13.11.20)protein18615% helix, 34% strandP60334

Ligands and binding sites

  • NI · Nickel (II) ion · metal · 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11110.620.8730empty

Modifications

Observed in the structure: 3 modified (engineered).

Compared structures

  • 2Q4S · Ensemble refinement of the protein crystal structure of cysteine dioxygenase type I from… · the same entry in another collection · chain A against A, TM-score 1.00
  • P60334 · AlphaFold monomer V2.0 prediction for cysteine dioxygenase type 1 (P60334) · a predicted model of the same protein · chain A against A, TM-score 0.99

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