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Ligand · BBA

BBA · 2,7-bis-(4-amidinobenzylidene)-cycloheptan-1-one

BBA, 2,7-bis-(4-amidinobenzylidene)-cycloheptan-1-one (C23 H28 N4 O, 376.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
BBA
Formula
C23 H28 N4 O
Class
ligand
Structures
6
PDB entries
3

Binding sites

BBA in 6 structures; the first of them:

  • 1A5H · Catalytic domain of human two-chain tissue plasminogen activator complex of a… · BBA A250 · binds HIS57, ASP97, THR98, TYR99, ARG174, THR175, ASP189, ALA190 and 11 more
  • 1V2N · Potent factor XA inhibitor in complex with bovine trypsin variant X(99/175/190)bT · BBA T1 · binds HIS57, GLU97, THR98, TYR99, ASP189, ALA190, CYS191, GLN192 and 9 more
  • 3PLP · Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor · BBA A481 · binds HIS57, GLU97, THR98, TYR99, ASP189, ALA190, CYS191, GLN192 and 10 more
  • 1A5H · Catalytic domain of human two-chain tissue plasminogen activator complex of a… · BBA A250 · binds HIS57, ASP97, THR98, TYR99, ARG174, THR175, ASP189, ALA190 and 11 more
  • 1V2N · Potent factor xa inhibitor in complex with bovine trypsin variant X(99/175/190)BT · BBA T1 · binds HIS57, GLU97, THR98, TYR99, ASP189, ALA190, CYS191, GLN192 and 9 more
  • 3PLP · Bovine trypsin variant X(TRIPLEILE227) in complex with small molecule inhibitor · BBA A481 · binds HIS57, GLU97, THR98, TYR99, ASP189, ALA190, CYS191, GLN192 and 10 more

Residues it binds most

GLY 8, SER 8, CYS 8, TYR 8, ASP 8, THR 8, ALA 8, GLN 8, TRP 8, HIS 6 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • GOL · Glycerol

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