GBX · 2-amino-4-[1-(carboxymethyl-carbamoyl)-2-(9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydro-benzo[def]chrysen-10-ylsulfanyl)-ethylcarbamoyl]-butyric acid

Binding sites

GBX in 8 structures; the first of them:

• 1F3B · Crystal structure of MGSTA1-1 in complex with glutathione conjugate of BENZO[A]PYRENE… · GBX A223 · binds TYR8, PHE9, ALA11, ARG14, LEU40, LYS44, ASP52, GLN53 and 12 more
• 1ML6 · Crystal Structure of mGSTA2-2 in Complex with the Glutathione Conjugate of… · GBX A230 · binds TYR8, PHE9, ALA11, ARG14, LEU40, LYS44, ASP52, GLN53 and 13 more
• 3PGT · Crystal structure of HGSTP1-1[I104] complexed with the gsh conjugate of (+)-anti-bpde · GBX A214 · binds PHE8, VAL10, ARG13, TRP38, LYS44, GLY50, GLN51, LEU52 and 8 more
• 4PGT · Crystal structure of HGSTP1-1[V104] complexed with the gsh conjugate of (+)-anti-bpde · GBX A211 · binds TYR7, PHE8, VAL10, ARG13, VAL35, TRP38, LYS44, GLY50 and 9 more
• 1F3B · Crystal structure of MGSTA1-1 in complex with glutathione conjugate of BENZO[A]PYRENE… · GBX A223 · binds TYR8, PHE9, ALA11, ARG14, LEU40, LYS44, ASP52, GLN53 and 12 more
• 1ML6 · Crystal structure of MGSTA2-2 in complex with the glutathione conjugate of… · GBX A230 · binds TYR8, PHE9, ALA11, ARG14, LEU40, LYS44, ASP52, GLN53 and 13 more
• 3PGT · Crystal structure of HGSTP1-1[I104] complexed with the gsh conjugate of (+)-anti-bpde · GBX A214 · binds PHE8, VAL10, ARG13, TRP38, LYS44, GLY50, GLN51, LEU52 and 8 more
• 4PGT · Crystal structure of HGSTP1-1[V104] complexed with the gsh conjugate of (+)-anti-bpde · GBX A211 · binds TYR7, PHE8, VAL10, ARG13, VAL35, TRP38, LYS44, GLY50 and 9 more

Residues it binds most

ARG 16, GLN 16, ASP 16, LEU 16, PHE 16, VAL 16, TYR 16, GLY 8, ALA 8, LYS 16 (residue and the binding sites it lines).

Found with

• SO4 · Sulfate ion
• MES · 2-(N-morpholino)-ethanesulfonic acid
• IPA · Isopropyl alcohol