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Ligand · KH4

KH4 · S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 1H-imidazole-4-carbothioate

KH4, S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] 1H-imidazole-4-carbothioate (C15 H25 N4 O8 P S, 452.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
KH4
Formula
C15 H25 N4 O8 P S
Class
ligand
Structures
4
PDB entries
2

Binding sites

KH4 in 4 structures; the first of them:

  • 4PWV · Structure of P450sky (CYP163B3), a cytochrome P450 from skyllamycin biosynthesis in… · KH4 B101 · binds ASN78, VAL79, VAL81, THR82, ASP88, SER89, ALA90, MSE94 and 15 more
  • 4PXH · Structure of P450sky (CYP163B3), a cytochrome P450 from skyllamycin biosynthesis in… · KH4 B101 · binds ASN78, VAL79, THR82, ASP88, SER89, ALA90, MET94, LEU180 and 15 more
  • 4PWV · Structure of P450SKY (CYP163B3), a cytochrome P450 from skyllamycin biosynthesis in… · KH4 B101 · binds ASN78, VAL79, VAL81, THR82, ASP88, SER89, ALA90, MSE94 and 15 more
  • 4PXH · Structure of P450SKY (CYP163B3), a cytochrome P450 from skyllamycin biosynthesis in… · KH4 B101 · binds ASN78, VAL79, THR82, ASP88, SER89, ALA90, MET94, LEU180 and 15 more

Residues it binds most

LEU 8, ASN 8, PHE 8, SER 8, THR 8, VAL 8, ALA 8, ARG 8, ASP 8, CYS 8 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe

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