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Ligand · A31

A31 · N-{15-oxo-19-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-N'-(8-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide

A31, N-{15-oxo-19-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10-trioxa-14-azanonadec-1-yl}-N'-(8-{[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]amino}octyl)pentanediamide (C44 H76 N6 O8 S, 849.2 g/mol), in the…

Component
A31
Formula
C44 H76 N6 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

A31 in 2 structures; the first of them:

  • 3OIA · Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered… · A31 A440 · binds TYR29, PHE87, PRO89, TYR96, PHE98, THR101, MET184, THR185 and 10 more
  • 3OIA · Crystal structure of cytochrome P450CAM crystallized in the presence of a tethered… · A31 A440 · binds TYR29, PHE87, PRO89, TYR96, PHE98, THR101, MET184, THR185 and 10 more

Residues it binds most

PHE 2, THR 2, VAL 2, PRO 2, TYR 2, ASP 2, GLY 2, ILE 2, LEU 2, MET 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • K · Potassium ion

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