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Ligand · MBO

MBO · Mercuribenzoic acid

MBO, Mercuribenzoic acid (C7 H5 Hg O2, 321.7 g/mol), in the MolNFT structures on GenesisL1: bound in 32 records (25 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
MBO
Formula
C7 H5 Hg O2
Class
ligand
Structures
32
PDB entries
25

Binding sites

MBO in 32 structures; the first of them:

  • 4YYT · Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group… · MBO A301 · binds VAL135, GLN136, GLN137, PRO138, GLU205, CYS206
  • 5EC5 · Crystal structure of lysenin pore · MBO A301 · binds SER226, SER227, ASP228, GLY230, PHE266, SER269, CYS283, LEU284 and 1 more
  • 5M78 · Human Carbonic Anhydrase II in complex with fragment-like inhibitor. · MBO A303 · binds VAL135, GLN136, GLN137, PRO138, GLU205, CYS206
  • 5THI · Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic… · MBO A304 · binds VAL135, GLN136, GLN137, PRO138, LEU204, GLU205, CYS206
  • 5W2K · Crystal structure of mutant CJ YCEI protein (CJ-G34C) with hydroxymercuribenzoic acid… · MBO A304 · binds CYS34
  • 5W3B · Crystal structure of mutant CJ YCEI protein (CJ-N182C) with mercuribenzoic acid guest… · MBO A304 · binds ASN156, GLY157, LYS158, ASN180, LEU181, CYS182
  • 6GDC · Human Carbonic Anhydrase II in complex with Benzenesulfonamide · MBO A303 · binds GLN136, GLN137, PRO138, GLU205, CYS206
  • 6GM9 · Human Carbonic Anhydrase II in complex with 4-Methylbenzenesulfonamide · MBO A307 · binds GLN136, GLN137, PRO138, GLU205, CYS206
  • 6HR3 · Human Carbonic Anhydrase II in complex with 4-Propylbenzenesulfonamide · MBO A303 · binds GLN136, GLN137, PRO138, GLU205, CYS206
  • 8EMU · Human Carbonic Anhydrase II Heterobifunctional Degraders · MBO A303 · binds VAL135, GLN136, GLN137, PRO138, GLU205, CYS206
  • 8EXG · Human Carbonic Anhydrase II bound N-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindoli… · MBO A303 · binds VAL135, GLN136, GLN137, PRO138, GLU205, CYS206
  • 8FAL · Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with… · MBO A303 · binds GLN136, GLN137, PRO138, GLU205, CYS206
  • 8P6U · Human carbonic anhydrase II containing 5-fluorotryptophanes · MBO A302 · binds VAL135, GLN136, GLN137, PRO138, LEU204, GLU205, CYS206
  • 8Q0C · Human carbonic anhydrase II containing 3-fluorotyrosine · MBO A302 · binds VAL135, GLN136, GLN137, PRO138, LEU204, GLU205, CYS206
  • 9GFW · HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 4-methylphenyl-boronic acid at pH 7.4 · MBO A305 · binds VAL135, GLN136, GLN137, PRO138, GLU205, CYS206
  • 5M78 · Human carbonic anhydrase II in complex with fragment-like inhibitor. · MBO A303 · binds GLN136, GLN137, PRO138, GLU205, CYS206
  • 5THI · Crystal structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic… · MBO A304 · binds VAL135, GLN136, GLN137, PRO138, GLU205, CYS206
  • 5THJ · Crystal structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic… · MBO A303 · binds VAL135, GLN136, GLN137, PRO138, GLU205, CYS206

Residues it binds most

GLN 34, CYS 56, SER 18, ASP 22, GLU 28, LEU 27, PRO 25, GLY 19, PHE 16, VAL 14 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • HG · Mercury (II) ion
  • BGC · beta-D-glucopyranose
  • GLC · alpha-D-glucopyranose
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • SO4 · Sulfate ion
  • CIT · Citric acid
  • 0TR · 2-hydroxycyclohepta-2,4,6-trien-1-one
  • UNL · Unknown ligand
  • 4J8 · 4-methylbenzenesulfonamide
  • 4JE · 4-propylbenzenesulfonamide

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