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MolNFT v1 · #183070 · protein

Thyx reconstituted with N5-carbinolamine flavin

7NDZ: “Thyx reconstituted with N5-carbinolamine flavin”. X-ray diffraction, 2 ligands (HUF, FDA). MolNFT v1 #183070 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7NDZ
Type
protein
Length
859 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q9WYT0
Ligands
HUF, FDA

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein216—Q9WYT0
B—protein216—Q9WYT0
C—protein217—Q9WYT0
D—protein210—Q9WYT0

Ligands and binding sites

  • HUF · [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate · ligand · 3 copies · chains A, C, D, B
  • FDA · Dihydroflavine-adenine dinucleotide · ligand · chains B, C, D
  • PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, C, B, D
  • PGE · Triethylene glycol · additive · chains A

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

Compared structures

  • 7NDZ · ThyX reconstituted with N5-carbinolamine flavin · the same entry in another collection · chain A against A, TM-score 1.00

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