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Ligand · MBD

MBD · 3-methylcatechol

MBD, 3-methylcatechol (C7 H8 O2, 124.1 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
MBD
Formula
C7 H8 O2
Class
ligand
Structures
6
PDB entries
3

Binding sites

MBD in 6 structures; the first of them:

  • 1KNF · Crystal Structure of 2,3-dihydroxybiphenyl 1,2-dioxygenase Complexed with 3-methyl… · MBD A301 · binds HIS146, ILE173, PHE187, HIS195, HIS210, HIS241, ASN243, ASP244 and 3 more
  • 2WL9 · Crystal structure of catechol 2,3-dioxygenase · MBD B1301 · binds HIS149, ILE151, TYR175, PHE189, HIS197, HIS212, HIS244, ASN246 and 5 more
  • 3HJQ · Crystal structure of catechol 1,2-dioxygenase from Rhodococcus opacus 1CP in complex with… · MBD A283 · binds LEU77, VAL81, ILE102, GLY104, PRO105, TYR106, TYR162, TYR196 and 6 more
  • 1KNF · Crystal structure of 2,3-dihydroxybiphenyl 1,2-dioxygenase complexed with 3-methyl… · MBD A301 · binds HIS146, ILE173, PHE187, HIS195, HIS210, HIS241, ASN243, ASP244 and 3 more
  • 2WL9 · Crystal structure of catechol 2,3-dioxygenase · MBD B1301 · binds HIS149, ILE151, TYR175, PHE189, HIS197, HIS212, HIS244, ASN246 and 5 more
  • 3HJQ · Crystal structure of catechol 1,2-dioxygenase from rhodococcus opacus 1CP in complex with… · MBD A283 · binds LEU77, VAL81, ILE102, GLY104, PRO105, TYR106, TYR162, TYR196 and 6 more

Residues it binds most

HIS 8, TYR 8, ILE 8, ASP 6, LEU 6, PHE 6, ASN 6, GLU 4, PRO 4, ALA 2 (residue and the binding sites it lines).

Found with

  • FE · Fe (III) ion
  • 6PL · (4S,7R)-4-hydroxy-N,N,N-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide
  • FE2 · Fe (II) ion
  • MG · Magnesium ion
  • GOL · Glycerol
  • TBU · Tertiary-butyl alcohol

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