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MolNFT v1 · #114904 · protein

Crystal structure of the C-terminal truncated neurospora crassa T7H (NCT7HDELTAC) in apo form

5C3O · Thymine dioxygenase: “Crystal structure of the C-terminal truncated neurospora crassa T7H (NCT7HDELTAC) in apo form”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.66). MolNFT v1 #114904 on GenesisL1: 3D…

PDB
5C3O
Type
protein
Length
260 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Thymine dioxygenase
UniProt
Q7RYZ9
Ligands
CA
Pockets
2 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AThymine dioxygenaseprotein26032% helix, 24% strandQ7RYZ9

Ligands and binding sites

  • CA · Calcium ion · metal · chains A
  • EDO · 1,2-ethanediol · additive · 6 copies · 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
11770.660.8626CA
2970.350.7417EDO

Modifications

Observed in the structure: 4 modified (engineered).

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