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Ligand · V55

V55 · 4-hydroxy-3-methoxybenzaldehyde

V55, 4-hydroxy-3-methoxybenzaldehyde (C8 H8 O3, 152.2 g/mol), in the MolNFT structures on GenesisL1: bound in 18 records (13 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
V55
Formula
C8 H8 O3
Class
ligand
Structures
18
PDB entries
13

Binding sites

V55 in 18 structures; the first of them:

  • 5FXP · Crystal structure of eugenol oxidase in complex with vanillin · V55 A601 · binds TYR91, ASP151, TYR168, HIS390, GLY392, GLN425, ILE427, VAL436 and 3 more
  • 5J55 · The Structure and Mechanism of NOV1, a Resveratrol-Cleaving Dioxygenase · V55 A503 · binds PHE59, TYR101, ASN120, THR121, LYS134, GLU135, MET216, HIS218 and 1 more
  • 6HOP · Human protein kinase CK2 alpha in complex with curcumin degradation products · V55 A406 · binds VAL53, VAL66, LYS68, GLU81, PHE113, ILE174, ASP175
  • 6HOU · Human protein kinase CK2 alpha in complex with vanillin · V55 A403 · binds VAL53, VAL66, LYS68, PHE113, ILE174, ASP175
  • 6XM9 · Crystal structure of vanillin bound to Co-LSD4 from Sphingobium sp. strain SYK-6 · V55 A501 · binds PHE59, TYR101, ASN120, THR121, LYS134, GLU135, MET216, HIS218 and 1 more
  • 6YCL · Crystal structure of GcoA T296G bound to p-vanillin · V55 A501 · binds PHE75, ILE81, PHE169, VAL241, LEU244, GLY245, ALA246, ILE292 and 3 more
  • 6YCM · Crystal structure of GcoA T296S bound to p-vanillin · V55 A502 · binds PHE75, ILE81, PHE169, VAL241, LEU244, GLY245, ALA246, ILE292 and 3 more
  • 7XWV · Feruloyl-CoA hydratase/lyase complexed with Vanillin and Coenzyme A · V55 A301 · binds MET74, TYR79, PHE80, GLN95, TYR99, TRP102, GLY122, GLY123 and 6 more
  • 5OMR · Crystal structure of amycolatopsis cytochrome P450 gcoa in complex with vanillin. · V55 A502 · binds PHE75, ILE81, PHE169, VAL241, LEU244, GLY245, ALA246, ILE292 and 3 more
  • 6HOP · Human protein kinase CK2 alpha in complex with curcumin degradation products · V55 A406 · binds VAL53, VAL66, LYS68, GLU81, PHE113, ILE174, ASP175
  • 6HOU · Human protein kinase CK2 alpha in complex with vanillin · V55 A403 · binds VAL53, VAL66, LYS68, PHE113, ILE174, ASP175
  • 6XM9 · Crystal structure of vanillin bound to co-LSD4 from sphingobium sp. strain syk-6 · V55 A501 · binds PHE59, TYR101, ASN120, THR121, LYS134, GLU135, MET216, HIS218 and 1 more
  • 6YCK · Crystal structure of gcoa T296A bound to P-vanillin · V55 A502 · binds PHE75, ILE81, PHE169, VAL241, LEU244, GLY245, ALA246, ILE292 and 3 more
  • 6YCL · Crystal structure of gcoa T296G bound to P-vanillin · V55 A501 · binds PHE75, ILE81, PHE169, VAL241, LEU244, GLY245, ALA246, ILE292 and 3 more
  • 6YCM · Crystal structure of gcoa T296S bound to P-vanillin · V55 A502 · binds PHE75, ILE81, PHE169, VAL241, LEU244, GLY245, ALA246, ILE292 and 3 more
  • 6YCT · Crystal structure of gcoa F169A_T296S bound to P-vanillin · V55 A502 · binds PHE75, ILE81, VAL241, LEU244, GLY245, ALA246, ILE292, ALA295 and 2 more
  • 7R0S · Structure of a cytosolic sulfotransferase of anopheles gambiae (AGAP001425) in complex… · V55 A401 · binds PHE100, PHE103, LYS150, HIS152, LEU186, TYR190, THR192, GLN193 and 1 more
  • 7R0U · Structure of a cytosolic sulfotransferase of anopheles gambiae (AGAP001425) in complex… · V55 A401 · binds PHE100, PHE103, PHE106, LYS150, HIS152, LEU186, TYR190, THR192 and 3 more

Residues it binds most

PHE 20, ILE 15, GLY 10, LEU 17, TYR 11, VAL 13, ALA 7, LYS 11, HIS 9, GLN 8 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • CIY · (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
  • FER · 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid
  • GJK · (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one
  • CO · Cobalt (II) ion
  • MG · Magnesium ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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