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

Binding sites

IO0 in 3 structures; the first of them:

• 8PY8 · Isopenicillin N synthase in complex with Fe, ACdV and O2 after 2s O2 exposure · IO0 A401 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 9 more
• 8PY9 · Isopenicillin N synthase in complex with Fe, O2, ACdV or thioaldehyde after 3s O2 exposure · IO0 A406 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 10 more
• 8PYA · Isopenicillin N synthase in complex with Fe, O2, ACdV or thioaldehyde after 4s O2 exposure · IO0 A406 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 9 more

Residues it binds most

LEU 3, PHE 3, SER 3, TYR 3, VAL 3, ARG 3, CYS 3, GLN 3, HIS 3, ILE 3 (residue and the binding sites it lines).

Found with

• ACV · L-D-(A-aminoadipoyl)-L-cysteinyl-D-valine
• FE · Fe (III) ion
• OXY · Oxygen molecule
• SO4 · Sulfate ion