2AYL

2.0 angstrom crystal structure of manganese protoporphyrin ix- reconstituted ovine prostaglandin h2 synthase-1 complexed with flurbiprofen

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 236
  • Norm. En. per Res.: -3.37
• 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	-88.1873	-17.665	-689.475	-795.3273	236	32	2	27118	5	49	41

Interface residues

• A-B: ALA1133B, ALA1318B, ALA133A, ALA1369B, ALA1547B, ALA318A, ALA369A, ALA547A, ARG1049B, ARG1054B, ARG1061B, ARG1245B, ARG1333B, ARG1374B, ARG1376B, ARG1469B, ARG245A, ARG333A, ARG374A, ARG376A, ARG469A, ARG49A, ARG54A, ARG61A, ASN1034B, ASN1122B, ASN1144B, ASN122A, ASN1375B, ASN144A, ASN1537B, ASN34A, ASN375A, ASN537A, ASP1053B, ASP1058B, ASP1135B, ASP1158B, ASP1229B, ASP1325B, ASP135A, ASP1362B, ASP158A, ASP229A, ASP325A, ASP362A, ASP53A, ASP58A, CYS1047B, CYS1057B, CYS1059B, CYS1540B, CYS47A, CYS540A, CYS57A, CYS59A, GLN1044B, GLN1056B, GLN1241B, GLN1327B, GLN1330B, GLN1370B, GLN1372B, GLN241A, GLN327A, GLN330A, GLN370A, GLN372A, GLN44A, GLN56A, GLU1140B, GLU1319B, GLU1326B, GLU1364B, GLU140A, GLU1543B, GLU1553B, GLU319A, GLU326A, GLU364A, GLU543A, GLU553A, GLY1045B, GLY1051B, GLY1225B, GLY1227B, GLY1231B, GLY1235B, GLY1324B, GLY1368B, GLY1536B, GLY1551B, GLY1552B, GLY1555B, GLY225A, GLY227A, GLY231A, GLY235A, GLY324A, GLY368A, GLY45A, GLY51A, GLY536A, GLY551A, GLY552A, GLY555A, HIS1134B, HIS1226B, HIS1320B, HIS134A, HIS226A, HIS320A, ILE1046B, ILE1124B, ILE1137B, ILE124A, ILE1337B, ILE1341B, ILE137A, ILE1539B, ILE337A, ILE341A, ILE46A, ILE539A, LEU1052B, LEU1224B, LEU1230B, LEU1238B, LEU1316B, LEU1328B, LEU1334B, LEU1366B, LEU224A, LEU230A, LEU238A, LEU316A, LEU328A, LEU334A, LEU366A, LEU52A, LYS1317B, LYS1532B, LYS1546B, LYS1560B, LYS317A, LYS532A, LYS546A, LYS560A, PHE1050B, PHE1142B, PHE1220B, PHE1329B, PHE1367B, PHE1371B, PHE142A, PHE1550B, PHE1556B, PHE220A, PHE329A, PHE367A, PHE371A, PHE50A, PHE550A, PHE556A, PRO1032B, PRO1035B, PRO1125B, PRO1127B, PRO1128B, PRO125A, PRO127A, PRO128A, PRO1321B, PRO1363B, PRO1538B, PRO1542B, PRO321A, PRO32A, PRO35A, PRO363A, PRO538A, PRO542A, SER1126B, SER1138B, SER1141B, SER1143B, SER126A, SER138A, SER141A, SER143A, SER1541B, SER1548B, SER541A, SER548A, THR1060B, THR1062B, THR1129B, THR129A, THR1322B, THR1331B, THR1549B, THR322A, THR331A, THR549A, THR60A, THR62A, TRP1139B, TRP1323B, TRP139A, TRP1545B, TRP323A, TRP545A, TYR1055B, TYR1130B, TYR1136B, TYR1147B, TYR1234B, TYR1242B, TYR130A, TYR136A, TYR1373B, TYR147A, TYR1544B, TYR234A, TYR242A, TYR373A, TYR544A, TYR55A, VAL1048B, VAL1145B, VAL1228B, VAL145A, VAL1554B, VAL228A, VAL48A, VAL554A