3HN3

human beta-glucuronidase at 1.7 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 63
  • Norm. En. per Res.: -4.1379
• Hub Node: A(3)

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	-47.3648	-42.5428	-164.541	-254.4487	62	5	0	5828	4	30	35
A-D	-126.2423	-190.7386	-468.545	-785.526	202	17	4	19965	22	70	88
A-E	-32.8604	-4.3201	-526.535	-563.7155	169	13	13	19520	0	40	35
B-D	-32.845	4.0081	-537.421	-566.2579	174	14	13	19939	0	40	35
B-E	-116.5945	-189.6055	-471.963	-778.1629	201	14	4	19794	22	73	87
D-E	-49.2594	-44.5741	-166.852	-260.6855	63	4	0	5841	4	30	35

Interface residues

• A-B: ALA547A, ALA547B, ALA618A, ALA618B, ALA619A, ALA619B, ARG613A, ARG613B, ARG623A, ARG623B, ASP552A, ASP552B, GLN551A, GLN551B, GLN612A, GLN612B, GLN614A, GLN614B, GLU559A, GLU559B, GLU560A, GLU560B, GLY548A, GLY548B, HIS550A, HIS550B, ILE546A, ILE546B, LEU372A, LEU372B, LEU555A, LEU555B, LEU621A, LYS368A, LYS368B, LYS563A, LYS563B, LYS616A, LYS616B, PHE549A, PHE549B, PHE609A, PHE609B, PHE620A, PHE620B, PRO553A, PRO553B, PRO554A, PRO554B, PRO615A, PRO615B, SER564B, SER617A, SER617B, THR545A, THR545B, THR558A, THR558B, THR610A, THR610B, TRP375A, TRP375B
• A-D: ALA265A, ALA265D, ALA354A, ALA354D, ARG103A, ARG103D, ARG110A, ARG110D, ARG116A, ARG116D, ARG165A, ARG165D, ARG296A, ARG357A, ARG357D, ARG36A, ARG36D, ARG374A, ARG374D, ARG398A, ARG398D, ARG611A, ARG611D, ARG613A, ARG613D, ARG623A, ARG623D, ARG66D, ARG93A, ARG93D, ASN267A, ASN267D, ASN371A, ASN371D, ASN84A, ASN84D, ASP114A, ASP114D, ASP355A, ASP355D, ASP362A, ASP362D, ASP369A, ASP369D, ASP42A, ASP42D, ASP76A, ASP76D, ASP85A, ASP85D, ASP89A, ASP89D, CYS38A, CYS38D, GLN113A, GLN31A, GLN31D, GLN394A, GLN394D, GLN612A, GLN612D, GLN614A, GLN614D, GLN88A, GLN88D, GLU104A, GLU104D, GLU109A, GLU109D, GLU266A, GLU266D, GLU32A, GLU32D, GLU37A, GLU37D, GLU391A, GLU391D, GLU40A, GLU40D, GLU70A, GLU70D, GLY358A, GLY358D, GLY360A, GLY360D, GLY43A, GLY43D, ILE106A, ILE106D, ILE356A, ILE356D, ILE86A, ILE86D, LEU107A, LEU107D, LEU263A, LEU263D, LEU365A, LEU365D, LEU366A, LEU366D, LEU372A, LEU372D, LEU373A, LEU373D, LEU376A, LEU376D, LEU41A, LEU41D, LEU44A, LEU44D, LEU602A, LEU602D, LEU92A, LEU92D, LYS368A, LYS368D, LYS39A, LYS39D, MET395A, MET395D, MET593A, MET593D, MET77A, MET77D, PHE319A, PHE319D, PHE361A, PHE361D, PHE370A, PHE370D, PHE47A, PHE47D, PHE609A, PHE609D, PHE620A, PHE620D, PHE83A, PHE83D, PRO108A, PRO108D, PRO34A, PRO34D, PRO364A, PRO364D, PRO615A, PRO615D, PRO67A, PRO67D, PRO78A, PRO78D, PRO80A, PRO80D, SER164A, SER164D, SER302A, SER302D, SER317D, SER33A, SER33D, SER35A, SER35D, SER46A, SER46D, SER81A, SER81D, SER82A, SER82D, SER87A, SER87D, THR112D, THR117D, THR222A, THR222D, THR321A, THR321D, THR610A, THR610D, THR74A, THR74D, TRP111A, TRP111D, TRP363A, TRP363D, TRP375A, TRP375D, TRP45A, TRP45D, TRP69A, TRP69D, TRP90A, TRP90D, TYR399A, TYR399D, VAL105A, VAL105D, VAL367A, VAL367D, VAL75A, VAL75D, VAL79A, VAL79D
• A-E: ALA522A, ALA522E, ALA547A, ALA547E, ARG600A, ARG600E, ARG611A, ARG611E, ARG91A, ARG91E, ARG93A, ARG93E, ASN486A, ASN486E, ASN527A, ASN527E, ASN84A, ASN84E, ASP191A, ASP191E, ASP510A, ASP510E, ASP552A, ASP552E, ASP591A, ASP85A, ASP85E, ASP89A, ASP89E, GLN202A, GLN202E, GLN520A, GLN520E, GLN524A, GLN524E, GLN551A, GLN551E, GLN568A, GLN568E, GLN596A, GLN596E, GLN88A, GLN88E, GLU515A, GLU515E, GLU526A, GLU526E, GLU544A, GLU544E, GLU559A, GLU559E, GLU560A, GLU560E, GLU567A, GLU567E, GLU595A, GLU595E, GLY512A, GLY512E, GLY548A, GLY548E, GLY603A, GLY603E, HIS509A, HIS509E, HIS513A, HIS513E, HIS550A, HIS550E, HIS94A, HIS94E, ILE356A, ILE356E, ILE517A, ILE517E, ILE546A, ILE546E, ILE86A, ILE86E, LEU189A, LEU189E, LEU514A, LEU514E, LEU516A, LEU516E, LEU519A, LEU519E, LEU521A, LEU521E, LEU555A, LEU555E, LEU565A, LEU602A, LEU602E, LEU92A, LEU92E, LYS194A, LYS194E, LYS197A, LYS197E, LYS605A, LYS605E, LYS606A, LYS606E, MET556A, MET556E, MET593A, MET593E, PHE200A, PHE200E, PHE209A, PHE209E, PHE549A, PHE549E, PHE557A, PHE557E, PRO196A, PRO196E, PRO553A, PRO553E, PRO554A, PRO554E, PRO598A, PRO598E, SER193A, SER193E, SER506A, SER506E, SER564A, SER564E, SER597A, SER597E, SER87A, SER87E, THR192A, THR192E, THR523A, THR523E, THR545A, THR545E, THR558A, THR558E, THR594A, THR594E, THR599A, THR599E, TRP507A, TRP507E, TRP90A, TRP90E, TYR195A, TYR195E, TYR199A, TYR199E, TYR211A, TYR211E, TYR487A, TYR505A, TYR505E, TYR508A, TYR508E, TYR511A, TYR511E, TYR561A, TYR561E, VAL201A, VAL201E, VAL601A, VAL601E
• B-D: ALA522B, ALA522D, ALA547B, ALA547D, ARG600B, ARG600D, ARG611B, ARG611D, ARG91B, ARG91D, ARG93B, ARG93D, ASN203B, ASN486B, ASN486D, ASN527B, ASN527D, ASN84B, ASN84D, ASP191B, ASP191D, ASP355B, ASP510B, ASP510D, ASP552B, ASP552D, ASP591D, ASP85B, ASP85D, ASP89B, ASP89D, GLN202B, GLN202D, GLN520B, GLN520D, GLN524B, GLN524D, GLN551B, GLN551D, GLN568B, GLN568D, GLN596B, GLN596D, GLN88B, GLN88D, GLU515B, GLU515D, GLU526B, GLU526D, GLU544B, GLU544D, GLU559B, GLU559D, GLU560B, GLU560D, GLU567B, GLU567D, GLU595B, GLU595D, GLY512B, GLY512D, GLY548B, GLY548D, GLY603B, GLY603D, HIS509B, HIS509D, HIS513B, HIS513D, HIS550B, HIS550D, HIS94B, HIS94D, ILE356B, ILE356D, ILE517B, ILE517D, ILE546B, ILE546D, ILE86B, ILE86D, LEU189B, LEU189D, LEU514B, LEU514D, LEU516B, LEU516D, LEU519B, LEU519D, LEU521B, LEU521D, LEU555B, LEU555D, LEU565B, LEU602B, LEU602D, LEU92B, LEU92D, LYS194B, LYS194D, LYS197B, LYS197D, LYS605B, LYS605D, LYS606B, LYS606D, MET556B, MET556D, MET593B, MET593D, PHE200B, PHE200D, PHE209B, PHE209D, PHE549B, PHE549D, PHE557B, PHE557D, PRO196B, PRO196D, PRO553B, PRO553D, PRO554B, PRO554D, PRO598B, PRO598D, SER193B, SER193D, SER503B, SER503D, SER506B, SER506D, SER564B, SER564D, SER597B, SER597D, SER87B, SER87D, THR192B, THR192D, THR523B, THR523D, THR545B, THR545D, THR558B, THR558D, THR594B, THR594D, THR599B, THR599D, TRP507B, TRP507D, TRP90B, TRP90D, TYR195B, TYR195D, TYR199B, TYR199D, TYR211B, TYR211D, TYR487B, TYR487D, TYR505B, TYR505D, TYR508B, TYR508D, TYR511B, TYR511D, TYR561B, TYR561D, VAL201B, VAL201D, VAL601B, VAL601D
• B-E: ALA265B, ALA265E, ALA354B, ALA354E, ARG103B, ARG103E, ARG110B, ARG110E, ARG116B, ARG116E, ARG165B, ARG165E, ARG357B, ARG357E, ARG36B, ARG36E, ARG374B, ARG374E, ARG398B, ARG398E, ARG611B, ARG611E, ARG613B, ARG613E, ARG623B, ARG623E, ARG66B, ARG66E, ARG93B, ARG93E, ASN267B, ASN267E, ASN371B, ASN371E, ASN84B, ASN84E, ASP114B, ASP114E, ASP264B, ASP355B, ASP355E, ASP362B, ASP362E, ASP369B, ASP369E, ASP42B, ASP42E, ASP76B, ASP76E, ASP85B, ASP85E, ASP89B, ASP89E, CYS38B, CYS38E, GLN113E, GLN31B, GLN31E, GLN394B, GLN394E, GLN612B, GLN612E, GLN614B, GLN614E, GLN88B, GLN88E, GLU104B, GLU104E, GLU109B, GLU109E, GLU266B, GLU266E, GLU304E, GLU32B, GLU32E, GLU37B, GLU37E, GLU391B, GLU391E, GLU40B, GLU40E, GLU70B, GLU70E, GLY358B, GLY358E, GLY360B, GLY360E, GLY43B, GLY43E, ILE106B, ILE106E, ILE356B, ILE356E, ILE86B, ILE86E, LEU107B, LEU107E, LEU263E, LEU365B, LEU365E, LEU366B, LEU366E, LEU372B, LEU372E, LEU373B, LEU373E, LEU376B, LEU376E, LEU41B, LEU41E, LEU44B, LEU44E, LEU602B, LEU602E, LEU92B, LEU92E, LYS268B, LYS368B, LYS368E, LYS39B, LYS39E, MET395B, MET395E, MET593B, MET593E, MET77B, MET77E, PHE319B, PHE319E, PHE361B, PHE361E, PHE370B, PHE370E, PHE47B, PHE47E, PHE609B, PHE609E, PHE620B, PHE620E, PHE83B, PHE83E, PRO108B, PRO108E, PRO34B, PRO34E, PRO364B, PRO364E, PRO615B, PRO615E, PRO67B, PRO67E, PRO78B, PRO78E, PRO80B, PRO80E, SER164B, SER164E, SER33B, SER33E, SER35B, SER35E, SER46B, SER46E, SER81B, SER81E, SER82B, SER82E, SER87B, SER87E, THR112B, THR117B, THR222B, THR222E, THR321B, THR321E, THR610B, THR610E, THR74B, THR74E, TRP111B, TRP111E, TRP363B, TRP363E, TRP375B, TRP375E, TRP45B, TRP45E, TRP69B, TRP69E, TRP90B, TRP90E, TYR399B, TYR399E, VAL105B, VAL105E, VAL367B, VAL367E, VAL75B, VAL75E, VAL79B, VAL79E
• D-E: ALA547D, ALA547E, ALA618D, ALA618E, ALA619D, ALA619E, ARG613D, ARG613E, ARG623D, ARG623E, ASP552D, ASP552E, GLN551D, GLN551E, GLN612D, GLN612E, GLN614D, GLN614E, GLU559D, GLU559E, GLU560D, GLU560E, GLY548D, GLY548E, HIS550D, HIS550E, ILE546D, ILE546E, LEU372D, LEU372E, LEU555D, LEU555E, LEU621D, LEU621E, LYS368D, LYS368E, LYS563D, LYS563E, LYS616D, LYS616E, PHE549D, PHE549E, PHE609D, PHE609E, PHE620D, PHE620E, PRO553D, PRO553E, PRO554D, PRO554E, PRO615D, PRO615E, SER564D, SER617D, SER617E, THR545D, THR545E, THR558D, THR558E, THR610D, THR610E, TRP375D, TRP375E