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Ligand · I49

I49 · 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine

I49, 1-carbamimidoyl-3-[2-(3-chloranyl-4-iodanyl-phenyl)ethyl]guanidine (C10 H13 Cl I N5, 365.6 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (9 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
I49
Formula
C10 H13 Cl I N5
Class
ligand
Structures
9
PDB entries
9

Binding sites

I49 in 9 structures; the first of them:

  • 7R41 · Bovine complex I in the presence of IM1761092, active class i (Composite map) · I49 N1305 · binds TYR196, ASN197, PRO198, THR199, SER344, GLU347, VAL140, MET82 and 8 more
  • 7R44 · Bovine complex I in the presence of IM1761092, active class iv (Composite map) · I49 N1303 · binds TYR196, ASN197, PRO198, THR199, SER344, GLU347, MET82, TYR83 and 6 more
  • 7R45 · Bovine complex I in the presence of IM1761092, deactive class i (Composite map) · I49 H602 · binds TRP46, VAL75, ALA18, THR21, GLU24, ARG25, PRO48, ASP51 and 5 more
  • 7R46 · Bovine complex I in the presence of IM1761092, deactive class ii (Composite map) · I49 H602 · binds TRP46, ALA18, THR21, GLU24, ARG25, PRO48, ASP51, ALA52 and 6 more
  • 7R47 · Bovine complex I in the presence of IM1761092, deactive class iii (Composite map) · I49 H602 · binds TRP46, VAL75, THR21, GLU24, ARG25, PRO48, ASP51, LEU55 and 3 more
  • 7R48 · Bovine complex I in the presence of IM1761092, deactive class iv (Composite map) · I49 H403 · binds TRP46, VAL75, ALA18, THR21, GLU24, ARG25, PRO48, ASP51 and 6 more
  • 7R4C · Bovine complex I in the presence of IM1761092, deactive class v (Composite map) · I49 H602 · binds TRP46, VAL75, ALA18, THR21, GLU24, ARG25, PRO48, ASP51 and 6 more
  • 7R4F · Bovine complex I in the presence of IM1761092, slack class i (Composite map) · I49 N1102 · binds TYR196, ASN197, PRO198, SER344, GLU347, VAL140, MET82, TYR83 and 6 more
  • 7R4G · Bovine complex I in the presence of IM1761092, slack class ii (Composite map) · I49 H403 · binds TRP46, VAL75, ARG77, GLN82, ALA18, THR21, ARG25, PRO48 and 7 more

Residues it binds most

ARG 14, GLU 13, TYR 12, VAL 13, PHE 14, MET 14, PRO 14, TRP 14, ALA 5, THR 13 (residue and the binding sites it lines).

Found with

  • 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine
  • CDL · Cardiolipin
  • EHZ · ~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{S})-3-oxidanyltetradecanethioate
  • FES · Fe2/s2 (inorganic) cluster
  • FMN · Flavin mononucleotide
  • GTP · Guanosine-5'-triphosphate
  • MYR · Myristic acid
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine
  • SF4 · Iron/sulfur cluster
  • K · Potassium ion
  • MG · Magnesium ion

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