GL1X · GenesisL1 explorer

Ligand · A6B

A6B · (3S,5S,7S)-N-[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide

A6B, (3S,5S,7S)-N-[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide (C27 H44 N4 O3 S, 504.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
A6B
Formula
C27 H44 N4 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

A6B in 2 structures; the first of them:

  • 3P6P · Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered… · A6B A440 · binds TYR29, ASN59, PHE87, ALA92, TYR96, PHE98, THR101, MET184 and 11 more
  • 3P6P · Crystal structure of cytochrome P450CAM crystallized in the presence of a tethered… · A6B A440 · binds TYR29, ASN59, PHE87, ALA92, TYR96, PHE98, THR101, MET184 and 11 more

Residues it binds most

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

Found with

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

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