3N8Y

structure of aspirin acetylated cyclooxygenase-1 in complex with diclofenac

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 245
  • Norm. En. per Res.: -3.1582
• Hub Node: A(1)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-83.8978	-5.0687	-684.804	-773.7705	245	24	2	27045	0	54	45

Interface residues

• A-B: ALA133A, ALA133B, ALA318A, ALA318B, ALA332A, ALA332B, ALA369A, ALA369B, ALA547A, ALA547B, ARG245A, ARG245B, ARG333A, ARG333B, ARG374A, ARG374B, ARG376A, ARG376B, ARG469A, ARG469B, ARG49A, ARG49B, ARG54A, ARG54B, ARG61A, ARG61B, ASN122A, ASN122B, ASN144A, ASN144B, ASN237A, ASN237B, ASN34A, ASN34B, ASN375A, ASN375B, ASN537A, ASN537B, ASP135A, ASP135B, ASP158A, ASP158B, ASP229A, ASP229B, ASP236A, ASP236B, ASP325A, ASP325B, ASP53A, ASP53B, ASP58A, ASP58B, CYS47A, CYS47B, CYS540A, CYS540B, CYS57A, CYS57B, CYS59A, CYS59B, GLN241A, GLN241B, GLN327A, GLN327B, GLN330A, GLN330B, GLN370A, GLN370B, GLN372A, GLN372B, GLN44A, GLN44B, GLN56A, GLN56B, GLU140A, GLU140B, GLU319A, GLU319B, GLU326A, GLU326B, GLU364A, GLU364B, GLU543A, GLU543B, GLU553A, GLU553B, GLY225A, GLY225B, GLY227A, GLY227B, GLY231A, GLY231B, GLY235A, GLY235B, GLY324A, GLY324B, GLY368A, GLY368B, GLY45A, GLY45B, GLY51A, GLY51B, GLY533A, GLY536A, GLY536B, GLY551A, GLY551B, GLY552A, GLY552B, GLY555A, GLY555B, HIS134A, HIS134B, HIS226A, HIS226B, HIS320A, HIS320B, ILE124A, ILE124B, ILE137A, ILE137B, ILE151B, ILE337A, ILE337B, ILE341A, ILE341B, ILE46A, ILE46B, ILE539A, ILE539B, LEU123B, LEU224A, LEU224B, LEU230A, LEU230B, LEU238A, LEU238B, LEU316A, LEU316B, LEU328A, LEU328B, LEU334A, LEU334B, LEU365A, LEU366A, LEU366B, LEU52A, LEU52B, LYS317A, LYS317B, LYS532A, LYS546A, LYS546B, LYS560A, PHE142A, PHE142B, PHE220A, PHE220B, PHE329A, PHE329B, PHE367A, PHE367B, PHE371A, PHE371B, PHE50A, PHE50B, PHE550A, PHE550B, PHE556A, PHE556B, PRO125A, PRO125B, PRO127A, PRO127B, PRO128A, PRO128B, PRO321A, PRO321B, PRO32A, PRO32B, PRO35A, PRO35B, PRO363A, PRO363B, PRO538A, PRO538B, PRO542A, PRO542B, SER126A, SER126B, SER138A, SER138B, SER141A, SER141B, SER143A, SER143B, SER146A, SER146B, SER541A, SER541B, SER548A, SER548B, THR129A, THR129B, THR322A, THR322B, THR331A, THR331B, THR549A, THR549B, THR60A, THR60B, THR62A, THR62B, TRP139A, TRP139B, TRP323A, TRP323B, TRP545A, TRP545B, TYR130A, TYR130B, TYR136A, TYR136B, TYR147A, TYR147B, TYR234A, TYR234B, TYR242A, TYR242B, TYR373A, TYR373B, TYR544A, TYR544B, TYR55A, TYR55B, VAL145A, VAL145B, VAL228A, VAL228B, VAL33A, VAL48A, VAL48B, VAL554A, VAL554B