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Ligand · CBD

CBD · Cibacron blue

CBD, Cibacron blue (C29 H20 Cl N7 O11 S3, 774.2 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
CBD
Formula
C29 H20 Cl N7 O11 S3
Class
ligand
Structures
10
PDB entries
5

Binding sites

CBD in 10 structures; the first of them:

  • 1QRD · Quinone REDUCTASE/FAD/CIBACRON BLUE/DUROQUINONE complex · CBD A275 · binds GLY149, GLY150, MET154, HIS161, GLY193, HIS194
  • 20GS · Glutathione S-transferase P1-1 complexed with cibacron blue · CBD A211 · binds TYR7, PHE8, VAL10, ARG13, ILE104, TYR108, GLY205
  • 3VI7 · Human hematopoietic prostaglandin D synthase inhibitor complex structures · CBD A201 · binds PHE9, MET11, GLY13, ARG14, ASP96, MET99, SER100, TRP104 and 10 more
  • 3W78 · Crystal Structure of azoreductase AzrC in complex with NAD(P)-inhibitor Cibacron Blue · CBD A302 · binds ALA119, PHE125, TYR127, THR128, GLU129, ASN130, GLY131, PRO132 and 10 more
  • 4CF6 · Crystal structure of the complex of the P187S variant of human NAD(P) H:qui… · CBD A1275 · binds TRP106, GLY150, GLY151, SER152, MET155, SER192, GLY194, HIS195 and 5 more
  • 1QRD · Quinone REDUCTASE/FAD/CIBACRON BLUE/DUROQUINONE complex · CBD A275 · binds GLY149, GLY150, MET154, HIS161, GLY193, HIS194
  • 20GS · Glutathione S-transferase P1-1 complexed with cibacron blue · CBD A211 · binds TYR7, PHE8, VAL10, ARG13, ILE104, TYR108, GLY205
  • 3VI7 · Human hematopoietic prostaglandin D synthase inhibitor complex structures · CBD A201 · binds PHE9, MET11, GLY13, ARG14, ASP96, MET99, SER100, TRP104 and 10 more
  • 3W78 · Crystal structure of azoreductase azrc in complex with NAD(P)- inhibitor cibacron blue · CBD A302 · binds ALA119, PHE125, TYR127, THR128, GLU129, ASN130, GLY131, PRO132 and 10 more
  • 4CF6 · Crystal structure of the complex of the P187S variant of human NAD(P) H:QUINONE… · CBD A1275 · binds TRP106, GLY150, GLY151, SER152, MET155, SER192, GLY194, HIS195 and 5 more

Residues it binds most

GLY 24, TYR 20, PHE 18, ASN 8, ALA 14, MET 12, HIS 8, SER 8, VAL 12, ILE 10 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • DQN · Duroquinone
  • FMN · Flavin mononucleotide
  • GSH · Glutathione
  • CA · Calcium ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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