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Ligand · I3C

I3C · 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid

I3C, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid (C8 H4 I3 N O4, 558.8 g/mol), in the MolNFT structures on GenesisL1: bound in 24 records (16 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
I3C
Formula
C8 H4 I3 N O4
Class
ligand
Structures
24
PDB entries
16

Binding sites

I3C in 24 structures; the first of them:

  • 5E9O · Spirochaeta thermophila X module - CBM64 - mutant G504A · I3C B601 · binds TYR459, ASN503, ALA520, SER521, ASP522, TYR526
  • 5FOR · Cryptic TIR · I3C A1141 · binds LEU27, SER30, SER31, ARG32, GLN33, PRO127, VAL131
  • 5L1A · Crystal structure of uncharacterized protein LPG2271 from Legionella pneumophila · I3C A201 · binds GLU60, GLU64, ASN67, THR88, ILE89, THR92, THR93
  • 6EG7 · BbvCI B2 dimer with I3C clusters · I3C A305 · binds VAL85, PRO115, ALA116, LYS117, ASP144, HIS145, ASP146
  • 6JZE · Crystal structure of VASH2-SVBP complex with the magic triangle I3C · I3C A401 · binds LYS135, LEU159, SER181, PHE182, HIS192, HIS193, VAL194, LYS247 and 1 more
  • 6LCM · Crystal structure of chloroplast resolvase ZmMOC1 with the magic triangle I3C · I3C C201 · binds ASP124, ARG127, GLN128, SER131, ASP138, LEU141, LYS142
  • 6MRY · NoD173 plant defensin · I3C C101 · binds GLU28, LYS29, PHE30, LYS46, ALA1, ARG2, ARG47, CYS48
  • 6NQZ · Flagellar protein FcpB from Leptospira interrogans · I3C A301 · binds LYS67, ASN69, THR74, PRO75, ALA76, ILE77
  • 6PBB · Crystal structure of Hen Egg White Lysozyme in complex with I3C · I3C A201 · binds ARG45, ASN46, THR47, GLY49
  • 7SKX · Ab initio structure of proteinase K from electron-counted MicroED data · I3C C301 · binds ASN5, ALA6, PRO7, TRP8, ARG185, SER207, LEU209, SER219
  • 5L1A · Crystal structure of uncharacterized protein LPG2271 from legionella pneumophila · I3C A201 · binds GLU60, GLU64, ASN67, THR88, ILE89, THR92

Residues it binds most

LYS 45, ARG 33, ALA 31, GLU 26, SER 28, ASN 26, ASP 19, THR 22, VAL 24, HIS 17 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether
  • CA · Calcium ion
  • IOD · Iodide ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • FLC · Citrate anion
  • GOL · Glycerol
  • PGE · Triethylene glycol
  • BMA · beta-D-mannopyranose
  • FUC · alpha-L-fucopyranose
  • MAN · alpha-D-mannopyranose

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