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Ligand · IB2

IB2 · P1-P2-methylene-P3-thio-diadenosine triphosphate

IB2, P1-P2-methylene-P3-thio-diadenosine triphosphate (C21 H29 N10 O14 P3 S, 770.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
IB2
Formula
C21 H29 N10 O14 P3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

IB2 in 4 structures; the first of them:

  • 1FHI · Substrate analog (IB2) complex with the fragile histidine triad protein, fhit · IB2 A301 · binds PHE5, HIS8, LEU9, ILE10, LEU25, VAL26, ASN27, ARG28 and 13 more
  • 2FHI · Substrate analog (IB2) complex with the his 96 asn substitution of the fragile histidine… · IB2 A301 · binds PHE5, ILE10, LEU25, VAL26, ASN27, ARG28, VAL31, HIS35 and 13 more
  • 1FHI · Substrate analog (IB2) complex with the fragile histidine triad protein, fhit · IB2 A301 · binds PHE5, HIS8, LEU9, ILE10, LEU25, VAL26, ASN27, ARG28 and 13 more
  • 2FHI · Substrate analog (IB2) complex with the his 96 asn substitution of the fragile histidine… · IB2 A301 · binds PHE5, ILE10, LEU25, VAL26, ASN27, ARG28, VAL31, HIS35 and 13 more

Residues it binds most

LEU 4, VAL 4, HIS 4, ARG 4, GLN 4, THR 4, ASN 4, PHE 4, GLY 4, ILE 4 (residue and the binding sites it lines).

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