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Ligand · ACV

ACV · L-D-(A-aminoadipoyl)-L-cysteinyl-D-valine

ACV, L-D-(A-aminoadipoyl)-L-cysteinyl-D-valine (C14 H25 N3 O6 S, 363.4 g/mol), in the MolNFT structures on GenesisL1: bound in 23 records (21 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
ACV
Formula
C14 H25 N3 O6 S
Class
ligand
Structures
23
PDB entries
21

Binding sites

ACV in 23 structures; the first of them:

  • 6ZAM · Fluorine labeled IPNS S55C in complex with Fe and ACV under anaerobic conditions. · ACV A405 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 12 more
  • 7PSW · Spin labeled IPNS S55C variant in complex with Fe and ACV under anaerobic conditions · ACV A402 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 12 more
  • 8BSV · IPNS H270D variant in complex with Fe and ACV under anaerobic conditions · ACV A406 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 13 more
  • 8BSX · IPNS H270D variant in complex with Fe and ACV after 10 min O2 exposure · ACV A403 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 11 more
  • 8PY5 · Isopenicillin N synthase in complex with Fe and ACdV under anaerobic conditions · ACV A403 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 12 more
  • 8PY6 · Isopenicillin N synthase in complex with Fe and ACdV under anaerobic conditions · ACV A404 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 12 more
  • 8PY8 · Isopenicillin N synthase in complex with Fe, ACdV and O2 after 2s O2 exposure · ACV A404 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 12 more
  • 8RDB · Isopenicillin N synthase N252E variant in complex with Fe and ACV under anaerobic… · ACV A406 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 13 more
  • 6Y0O · Isopenicillin N synthase in complex with acv and fe under anaerobic environment using… · ACV A403 · binds ARG87, TYR91, CYS104, SER183, ILE187, TYR189, PHE211, HIS214 and 8 more
  • 6ZAE · Room temperature xfel isopenicillin N synthase structure in complex with fe and acv under… · ACV A403 · binds ARG87, TYR91, CYS104, SER183, ILE187, TYR189, PHE211, HIS214 and 8 more
  • 6ZAF · Room temperature xfel isopenicillin N synthase structure in complex with fe and acv after… · ACV A402 · binds ARG87, TYR91, CYS104, SER183, ILE187, TYR189, PHE211, HIS214 and 8 more
  • 6ZAG · Room temperature xfel isopenicillin N synthase structure in complex with fe and acv after… · ACV A403 · binds ARG87, TYR91, CYS104, SER183, ILE187, TYR189, PHE211, HIS214 and 8 more
  • 6ZAH · Room temperature xfel isopenicillin N synthase structure in complex with fe and acv after… · ACV A402 · binds ARG87, TYR91, CYS104, SER183, ILE187, TYR189, PHE211, HIS214 and 9 more
  • 6ZAI · Room temperature xfel isopenicillin N synthase structure in complex with fe, O2 and acv… · ACV A403 · binds ARG87, TYR91, CYS104, SER183, ILE187, TYR189, PHE211, HIS214 and 8 more
  • 6ZAJ · Room temperature xfel isopenicillin N synthase structure in complex with fe, O2 and acv… · ACV A402 · binds ARG87, TYR91, CYS104, SER183, ILE187, TYR189, PHE211, HIS214 and 8 more
  • 6ZAK · Room temperature xfel isopenicillin N synthase structure in complex with the FE(IV)=O… · ACV A402 · binds ARG87, TYR91, CYS104, SER183, ILE187, TYR189, PHE211, HIS214 and 9 more
  • 6ZAL · Room temperature xfel isopenicillin N synthase structure in complex with fe and acv after… · ACV A402 · binds ARG87, TYR91, CYS104, SER183, ILE187, TYR189, PHE211, HIS214 and 7 more
  • 6ZAM · Fluorine labeled ipns S55C in complex with fe and acv under anaerobic conditions. · ACV A405 · binds ARG87, TYR91, CYS104, SER183, ILE187, TYR189, PHE211, HIS214 and 9 more
  • 6ZAN · Isopenicillin N synthase in complex with fe, the oxygen surrogate no and acv. · ACV A406 · binds ARG87, TYR91, CYS104, SER183, ILE187, TYR189, PHE211, HIS214 and 10 more
  • 6ZAP · Isopenicillin N synthase in complex with fe, O2 and acv under cryo conditions. · ACV A403 · binds ARG87, TYR91, CYS104, SER183, ILE187, TYR189, PHE211, HIS214 and 9 more
  • 6ZW8 · Isopenicillin N synthase in complex with CD and acv. · ACV A409 · binds ARG87, TYR91, CYS104, SER183, ILE187, TYR189, PHE211, HIS214 and 9 more
  • 7POY · Spin labeled ipns S55C variant in complex with fe, acv and no · ACV A402 · binds ARG87, TYR91, CYS104, SER183, ILE187, TYR189, PHE211, HIS214 and 9 more
  • 7PSW · Spin labeled ipns S55C variant in complex with fe and acv under anaerobic conditions · ACV A402 · binds ARG87, TYR91, CYS104, SER183, ILE187, TYR189, PHE211, HIS214 and 9 more

Residues it binds most

LEU 23, PHE 23, SER 23, TYR 23, VAL 19, HIS 23, ARG 23, ASP 22, CYS 23, ILE 23 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • FE · Fe (III) ion
  • FE2 · Fe (II) ion
  • OXY · Oxygen molecule
  • GOL · Glycerol
  • W6X · 1,1,1-tris(fluoranyl)propan-2-one
  • W6Z · 1,1,1-tris(fluoranyl)propane-2,2-diol
  • NO · Nitric oxide
  • 81T · ~{N}-[(3~{R})-2,2,5,5-tetramethyl-1-oxidanyl-pyrrolidin-3-yl]ethanamide
  • IO0 · (2S)-2-azanyl-6-[[(2R)-1-[[(2R)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanylidene-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid
  • VVO · oxovanadium(2+)
  • CD · Cadmium ion

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