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Ligand · GKX

GKX · (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid

GKX, (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid (C20 H29 N O3, 331.5 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
GKX
Formula
C20 H29 N O3
Class
ligand
Structures
7
PDB entries
4

Binding sites

GKX in 7 structures; the first of them:

  • 7CP8 · Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in… · GKX A503 · binds LEU17, LEU20, VAL26, LEU29, ARG47, THR49, TYR51, SER72 and 9 more
  • 7CX6 · Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in… · GKX A502 · binds LEU17, LEU20, VAL26, LEU29, ARG47, THR49, TYR51, SER72 and 9 more
  • 7CX8 · Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in… · GKX A502 · binds LEU17, LEU20, VAL26, LEU29, ARG47, THR49, TYR51, SER72 and 9 more
  • 7WY3 · Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem… · GKX A502 · binds LEU17, LEU20, VAL26, LEU29, ARG47, THR49, TYR51, SER72 and 9 more
  • 7CP8 · Structure of the CYP102A1 haem domain with N-(5-CYCLOHEXYL)VALEROYL-L- phenylalanine in… · GKX A503 · binds LEU20, VAL26, LEU29, ARG47, TYR51, SER72, GLN73, ALA74 and 6 more
  • 7CX6 · Structure of the CYP102A1 haem domain with N-(5-CYCLOHEXYL)VALEROYL-L- phenylalanine in… · GKX A502 · binds LEU20, VAL26, LEU29, ARG47, THR49, TYR51, SER72, GLN73 and 6 more
  • 7CX8 · Structure of the CYP102A1 haem domain with N-(5-CYCLOHEXYL)VALEROYL-L- phenylalanine in… · GKX A502 · binds LEU17, LEU20, VAL26, LEU29, ARG47, THR49, TYR51, SER72 and 9 more

Residues it binds most

LEU 14, ALA 14, MET 13, ARG 14, GLN 14, PRO 14, SER 14, TYR 14, VAL 14, THR 13 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • HEM · Protoporphyrin IX containing Fe
  • 1Y5 · (1R)-1,2,3,4-tetrahydronaphthalen-1-amine
  • QSC · (1R)-1-phenylethanamine
  • RM1 · N-methyl-1(R)-aminoindan
  • STQ · (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine
  • MI9 · Oxomolybdenum Mesoporphyrin IX
  • SYN · ethenylbenzene
  • CL · Chloride ion

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