Ligand · COU
COU · Coumarin
COU, Coumarin (C9 H6 O2, 146.1 g/mol), in the MolNFT structures on GenesisL1: bound in 21 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
- COU
- Formula
- C9 H6 O2
- Class
- ligand
- Structures
- 21
- PDB entries
- 11
Binding sites
COU in 21 structures; the first of them:
- 1Z10 · Crystal Structure of Human Microsomal P450 2A6 with Coumarin Bound · COU A501 · binds PHE107, PHE111, VAL117, PHE118, PHE209, ASN297, ILE300, GLY301 and 3 more
- 2H90 · Xenobiotic reductase A in complex with coumarin · COU A801 · binds CYS25, TYR27, ILE66, HIS178, HIS181, TYR183
- 2PMJ · Crystal structure of the complex formed between phospholipase A2 and 1, 2 benzopyrone at… · COU A1001 · binds LEU2, ILE19, GLY30
- 2PWB · Crystal structure of the complex of proteinase K with coumarin at 1.9 A resolution · COU A2291 · binds HIS69, SER132, LEU133, GLY134, ALA158, GLY160, ASN161, SER224
- 3CRB · Crystal structure of the complex of C-lobe of lactoferrin with 2-chrome at 2.6 A… · COU A693 · binds GLU659, TYR660, LEU661, GLY662
- 3L5M · Xenobiotic reductase A - coumarin bound · COU A801 · binds CYS25, TYR27, ILE66, HIS178, HIS181, TYR183
- 3L66 · Xenobiotic Reductase A - C25A Variant with Coumarin · COU A801 · binds ALA25, TYR27, ILE66, HIS178, HIS181, TYR183
- 3L68 · Xenobiotic Reductase A - C25S variant with coumarin · COU A801 · binds SER25, TYR27, ILE66, HIS178, HIS181, TYR183
- 4UTI · XenA - oxidized - Y183F variant in complex with coumarin · COU A1362 · binds CYS25, TYR27, ILE66, HIS178, HIS181, PHE183
- 4UTL · XenA - reduced - Y183F variant in complex with coumarin · COU A1362 · binds CYS25, TYR27, ILE66, HIS178, HIS181, PHE183, TRP302
- 7H8X · Group deposition for crystallographic fragment screening of Chikungunya virus nsP3… · COU D206 · binds ASP10, ILE11, GLY32, VAL33, ALA36, ARG144
- 1Z10 · Crystal structure of human microsomal P450 2A6 with coumarin bound · COU A501 · binds PHE107, PHE111, VAL117, PHE118, PHE209, ASN297, ILE300, GLY301 and 3 more
- 2H90 · Xenobiotic reductase a in complex with coumarin · COU A801 · binds CYS25, TYR27, ILE66, HIS178, HIS181, TYR183
- 2PMJ · Crystal structure of the complex formed between phospholipase A2 and 1, 2 benzopyrone at… · COU A1001 · binds LEU2, ILE19, GLY30
- 2PWB · Crystal structure of the complex of proteinase K with coumarin at 1.9 a resolution · COU A2291 · binds HIS69, SER132, LEU133, GLY134, ALA158, GLY160, ASN161, SER224
- 3CRB · Crystal structure of the complex of C-lobe of lactoferrin with 2- chromenone at 2.6 a… · COU A693 · binds GLU659, TYR660, LEU661, GLY662
- 3L5M · Xenobiotic reductase a - coumarin bound · COU A801 · binds CYS25, TYR27, ILE66, HIS178, HIS181, TYR183
- 3L66 · Xenobiotic reductase a - C25A variant with coumarin · COU A801 · binds ALA25, TYR27, ILE66, HIS178, HIS181, TYR183
- 3L68 · Xenobiotic reductase a - C25S variant with coumarin · COU A801 · binds SER25, TYR27, ILE66, HIS178, HIS181, TYR183
Residues it binds most
PHE 14, ILE 23, HIS 16, TYR 14, GLY 17, TRP 16, ALA 9, ASN 12, LEU 12, MET 10 (residue and the binding sites it lines).
Found with
- SO4 · Sulfate ion
- FMN · Flavin mononucleotide
- BU3 · (R,R)-2,3-butanediol
- CCN · Acetonitrile
- FNR · 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[g]pteridin-1-id-10(5H)-yl)-5-O-phosphonato-D-ribitol
- HEM · Protoporphyrin IX containing Fe
- CA · Calcium ion
- FE · Fe (III) ion
- ZN · Zinc ion
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
- CO3 · Carbonate ion
- NO3 · Nitrate ion
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