3OLT

x-ray crystal structure of arachidonic acid bound to the cyclooxygenase channel of r513h murine cox-2

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 238
  • Norm. En. per Res.: -3.5027
• 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	-104.946	-40.0019	-688.704	-833.6519	238	32	0	26382	2	47	47

Interface residues

• A-B: ALA141A, ALA141B, ARG216A, ARG216B, ARG245A, ARG245B, ARG333A, ARG333B, ARG376A, ARG376B, ARG44A, ARG44B, ARG469A, ARG469B, ARG61A, ARG61B, ASN144A, ASN144B, ASN231A, ASN231B, ASN368A, ASN368B, ASN375A, ASN375B, ASN537A, ASN537B, ASP125A, ASP125B, ASP229A, ASP229B, ASP325A, ASP325B, ASP53A, ASP53B, ASP58A, ASP58B, CYS36A, CYS47A, CYS47B, CYS540A, CYS540B, CYS57A, CYS57B, CYS59A, CYS59B, CYS69A, GLN241A, GLN241B, GLN318A, GLN318B, GLN327A, GLN327B, GLN330A, GLN330B, GLN369A, GLN369B, GLN370A, GLN370B, GLN372A, GLN372B, GLN374A, GLN374B, GLN543A, GLN543B, GLN54A, GLN54B, GLU140A, GLU140B, GLU236B, GLU319A, GLU319B, GLU322A, GLU322B, GLU326A, GLU326B, GLU364A, GLU364B, GLU46A, GLU46B, GLU553A, GLU553B, GLY135A, GLY135B, GLY225A, GLY225B, GLY227A, GLY227B, GLY235A, GLY235B, GLY324A, GLY324B, GLY45A, GLY45B, GLY51A, GLY51B, GLY536A, GLY536B, GLY551A, GLY551B, GLY552A, GLY552B, GLY555A, GLY555B, HIS133A, HIS133B, HIS226A, HIS226B, HIS242A, HIS242B, HIS320A, HIS320B, HIS33B, HIS34A, HIS34B, ILE124A, ILE124B, ILE337A, ILE337B, ILE341A, ILE341B, ILE539A, ILE539B, LEU123A, LEU123B, LEU145A, LEU145B, LEU224A, LEU224B, LEU230A, LEU230B, LEU238A, LEU238B, LEU328A, LEU328B, LEU334A, LEU334B, LEU365A, LEU366A, LEU366B, LYS137A, LYS137B, LYS317A, LYS317B, LYS532A, LYS532B, LYS546A, LYS546B, LYS56A, LYS56B, MET48A, MET48B, PHE142A, PHE142B, PHE220A, PHE220B, PHE329A, PHE329B, PHE367A, PHE367B, PHE371A, PHE371B, PHE52A, PHE52B, PHE550A, PHE550B, PHE556A, PHE556B, PRO127A, PRO127B, PRO128A, PRO128B, PRO321A, PRO321B, PRO35A, PRO35B, PRO363A, PRO363B, PRO538A, PRO538B, PRO542A, PRO542B, PRO547A, PRO547B, SER126A, SER126B, SER138A, SER138B, SER143A, SER143B, SER332A, SER49A, SER49B, SER541A, SER541B, SER548A, SER548B, THR129A, THR129B, THR237A, THR237B, THR331A, THR331B, THR50A, THR50B, THR549A, THR549B, THR60A, THR60B, THR62A, THR62B, TRP139A, TRP139B, TRP323A, TRP323B, TRP545A, TRP545B, TYR122A, TYR122B, TYR130A, TYR130B, TYR134A, TYR134B, TYR136A, TYR136B, TYR147A, TYR147B, TYR234A, TYR234B, TYR373A, TYR373B, TYR544A, TYR544B, TYR55A, TYR55B, VAL228A, VAL228B, VAL554A, VAL554B