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Ligand · HIB

HIB · 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoic acid

HIB, 4-hydroxy-5-iodo-2,3-dimethoxy-6-methylbenzoic acid (C10 H11 I O5, 338.1 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 most…

Component
HIB
Formula
C10 H11 I O5
Class
ligand
Structures
4
PDB entries
2

Binding sites

HIB in 4 structures; the first of them:

  • 2L65 · HADDOCK calculated model of the complex of the resistance protein CalC and… · HIB A626 · binds HIS63, THR64, PHE65, ASN84, MET133
  • 2PIK · Calicheamicin GAMMA1I-DNA complex, NMR, 6 structures · HIB A33 · binds DC6, DT7, DG8, DG18, DG19, DA20, DG21
  • 2L65 · Haddock calculated model of the complex of the resistance protein calc and… · HIB A626 · binds HIS63, THR64, PHE65, ASN84, MET133
  • 2PIK · Calicheamicin GAMMA1I-DNA complex, NMR, 6 structures · HIB A33 · binds DC6, DT7, DG8, DG18, DG19, DA20, DG21

Residues it binds most

DG 2, ASN 2, DA 2, DC 2, DT 2, HIS 2, MET 2, PHE 2, THR 2 (residue and the binding sites it lines).

Found with

  • DAG · 4-amino-4,6-dideoxy-beta-D-glucopyranose
  • MTC · [1,8-dihydroxy-11-oxo-13-(2-methyltrithio-ethylidene)-bicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl]-carbamic acid methyl ester
  • DSR · 2,6-dideoxy-4-thio-beta-D-allopyranose
  • EMP · 2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranose
  • MRP · 3-O-methyl-alpha-L-rhamnopyranose

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