Ligand · MBN
MBN · Toluene
MBN, Toluene (C7 H8, 92.1 g/mol), in the MolNFT structures on GenesisL1: bound in 15 records (11 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.
- Component
- MBN
- Formula
- C7 H8
- Class
- ligand
- Structures
- 15
- PDB entries
- 11
Binding sites
MBN in 15 structures; the first of them:
- 4ZBV · Structural studies on a non-toxic homologue of type II RIPs from Momordica charantia… · MBN B311
- 5E6E · Crystal Structure of Carbonmonoxy Sickle Hemoglobin in R-State Conformation · MBN A203 · binds VAL10, ALA13, TRP14, VAL17, ALA21, LEU66, THR67, VAL70 and 2 more
- 5HWV · Crystal structure of PAS1 complexed with toluene · MBN A501 · binds PHE46, VAL59, ALA63, PHE79, TRP84, TRP85, ILE114, PHE128 and 2 more
- 5TDS · Toluene bound in the resting active site of toluene 4-monooxygenase (T4moH) · MBN A504 · binds TRP167, VAL271, SER330, TYR331, GLY334, VAL335, TRP338, PRO394 and 5 more
- 5XOO · The structure of hydra Fam20 with sugar · MBN A503 · binds TYR253, HIS301, HIS302
- 7L39 · T4 Lysozyme L99A - toluene - RT · MBN A203 · binds ILE78, LEU84, VAL87, TYR88, LEU91, ALA99, MET102, VAL103 and 4 more
- 7V41 · Crystal structure of Class I P450 monooxygenase (P450tol) from Rhodococcus coprophilus… · MBN A501 · binds PRO114, ALA275, ALA279, VAL326, PHE329, PHE426
- 7YD9 · Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex… · MBN A504 · binds LEU75, GLY87, THR88, THR260, ILE263, VAL328
- 8FDM · Human Hemoglobin in Complex with Nitrosomethane · MBN A204 · binds HIS87, ALA88, VAL93, ASP94, PRO95, PHE98, THR137, LYS139 and 2 more
- 5TDS · Toluene bound in the resting active site of toluene 4-monooxygenase (T4MOH) · MBN A504 · binds TRP167, VAL271, TYR331, GLY334, VAL335, TRP338, PRO394, ILE402 and 4 more
- 5TDT · Oxygenated toluene intermediate in toluene 4-monooxygenase (T4MOHD) after reaction in the… · MBN A502 · binds ILE100, GLY103, GLU104, ALA107, PHE176, PHE196, GLU197, THR201
- 5XOO · The structure of hydra FAM20 with sugar · MBN A503 · binds TYR253, HIS301, HIS302
- 7L39 · T4 lysozyme L99A - toluene - rt · MBN A203 · binds LEU84, VAL87, TYR88, ALA99, MET102, LEU118, LEU121, PHE153
- 7L3A · T4 lysozyme L99A - toluene - cryo · MBN A201 · binds LEU84, VAL87, TYR88, ALA99, MET102, LEU118, LEU121, PHE153
- 7V41 · Crystal structure of class I P450 monooxygenase (P450TOL) from rhodococcus coprophilus… · MBN A501 · binds PRO114, ALA275, ALA279, VAL326, PHE329, PHE426
Residues it binds most
PHE 27, VAL 25, LEU 22, TRP 19, PRO 18, ILE 23, ALA 17, THR 18, GLY 16, TYR 16 (residue and the binding sites it lines).
Found with
- HEM · Protoporphyrin IX containing Fe
- PO4 · Phosphate ion
- CL · Chloride ion
- FE · Fe (III) ion
- GAL · beta-D-galactopyranose
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
- ADN · Adenosine
- MG · Magnesium ion
- XYP · beta-D-xylopyranose
- BME · Beta-mercaptoethanol
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
- HOA · Hydroxyamine
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