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Ligand · T2N

T2N · 3,5-dioxa-7-thia-1-thionia-2$L^{2},4$L^{2},6$L^{3}, 8$L^{2}-tetraferrabicyclo[4.2.0]octane

T2N, 3,5-dioxa-7-thia-1-thionia-2$L^{2},4$L^{2},6$L^{3}, 8$L^{2}-tetraferrabicyclo[4.2.0]octane (Fe4 O2 S2 +1, 319.5 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues…

Component
T2N
Formula
Fe4 O2 S2 +1
Class
ligand
Structures
5
PDB entries
3

Binding sites

T2N in 5 structures; the first of them:

  • 7B97 · CooS-V with oxidized hybrid cluster by hydroxylamine for 30 min · T2N A1003 · binds HIS259, ILE294, GLU295, TRP317, ASN337, CYS338, ASN448, CYS449 and 6 more
  • 7B9A · CooS-V with Xe-soaked · T2N A720 · binds HIS259, GLU295, TRP317, ASN337, CYS338, CYS449, CYS480, CYS521 and 1 more
  • 7B7Q · Coos-V with oxidized hybrid cluster · T2N A5003 · binds HIS259, ILE294, GLU295, TRP317, CYS338, ASN448, CYS449, CYS480 and 3 more
  • 7B97 · Coos-V with oxidized hybrid cluster by hydroxylamine for 30 min · T2N A1003 · binds HIS259, ILE294, GLU295, TRP317, CYS338, ASN448, CYS449, CYS480 and 4 more
  • 7B9A · Coos-V with xe-soaked · T2N A720 · binds HIS259, GLU295, TRP317, ASN337, CYS338, CYS449, CYS480, CYS521 and 1 more

Residues it binds most

CYS 14, GLU 14, ASN 14, HIS 12, ILE 12, TRP 10, LYS 8, MET 4, CSS 2, GLY 2 (residue and the binding sites it lines).

Found with

  • FES · Fe2/s2 (inorganic) cluster
  • SF4 · Iron/sulfur cluster
  • H2S · Hydrosulfuric acid
  • BR · Bromide ion
  • XE · Xenon
  • BU3 · (R,R)-2,3-butanediol
  • TAM · Tris(hydroxyethyl)aminomethane
  • PEG · Di(hydroxyethyl)ether

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