3OHP

crystal structure of hgprt from vibrio cholerae

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 129
  • Norm. En. per Res.: -4.9733
• 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	-41.5659	-225.8444	-374.141	-641.5513	129	9	8	14938	17	65	44
A-C	-93.0936	-14.3358	-225.711	-333.1404	68	9	4	8870	1	54	48
A-D	0.0	0.0	-0.1595	-0.1595	7	0	0	65	0	2	8
B-C	0.0	0.0	-0.1382	-0.1382	6	0	0	53	0	2	7
B-D	-74.7576	-17.9584	-199.731	-292.447	65	15	4	8360	0	53	46
C-D	-29.7719	-229.2833	-369.891	-628.9462	128	8	8	14837	18	64	42

Interface residues

• A-B: ALA15A, ALA15B, ALA160A, ALA160B, ALA49A, ALA49B, ALA52A, ALA52B, ALA66A, ALA66B, ARG164A, ARG164B, ARG42A, ARG42B, ARG53A, ARG53B, ASP158A, ASP158B, ASP34A, ASP34B, ASP50A, ASP50B, ASP62A, ASP62B, ASP84A, ASP84B, ASP86A, ASP86B, ASP87A, ASP87B, ASP88A, ASP88B, GLN161A, GLN161B, GLN54A, GLN54B, GLN60A, GLN60B, GLU11A, GLU11B, GLY154A, GLY154B, GLY156A, GLY156B, GLY39A, GLY39B, GLY43A, GLY43B, HIS165A, HIS165B, HIS3A, HIS3B, HIS56A, HIS56B, HIS59A, HIS59B, ILE18A, ILE18B, ILE55A, ILE55B, ILE81A, ILE81B, LEU127A, LEU127B, LEU166A, LEU166B, LEU35A, LEU35B, LEU37A, LEU37B, LEU41A, LEU41B, LEU51A, LEU51B, LEU57A, LEU57B, LEU82A, LEU82B, LEU85A, LEU85B, LYS162A, LYS162B, LYS83A, LYS83B, LYS92A, LYS92B, MET48A, MET48B, MET64A, MET64B, PHE45A, PHE45B, PHE47A, PHE47B, PHE63A, PHE63B, PRO167A, PRO167B, SER33A, SER33B, SER44A, SER44B, SER67B, THR58A, THR58B, THR65A, THR65B, TYR159A, TYR159B, TYR163A, TYR163B, TYR168A, TYR168B, VAL14A, VAL14B, VAL155A, VAL155B, VAL36A, VAL36B, VAL38A, VAL38B, VAL46A, VAL46B, VAL5A, VAL5B, VAL61A, VAL61B, VAL97A, VAL97B
• A-C: ALA115A, ALA115C, ALA66A, ALA66C, ARG117A, ARG117C, ARG77A, ARG77C, ARG80A, ARG80C, ASN108A, ASN108C, ASP62A, ASP62C, ASP78A, ASP78C, ASP84A, ASP84C, ASP86A, ASP86C, ASP87A, ASP87C, ASP88A, ASP88C, GLU112A, GLU112C, GLU118A, GLU118C, GLY91A, GLY91C, ILE113A, ILE113C, ILE81A, ILE81C, ILE89A, ILE89C, LEU114A, LEU114C, LEU116A, LEU116C, LEU82A, LEU82C, LEU85A, LEU85C, LYS109A, LYS109C, LYS111A, LYS111C, LYS83A, LYS83C, LYS90A, LYS90C, LYS92A, LYS92C, MET64A, MET64C, PRO119A, PRO119C, SER67A, SER67C, SER68A, SER68C, SER76C, THR65A, VAL110A, VAL110C, VAL79A, VAL79C
• A-D: ARG42A, ARG80A, ARG80D, LEU82A, LEU82D, LYS83A, LYS83D
• B-C: ARG42C, ARG80B, ARG80C, LEU82B, LEU82C, LYS83C
• B-D: ALA115B, ALA115D, ALA66B, ALA66D, ARG117B, ARG117D, ARG77B, ARG77D, ARG80B, ARG80D, ASN105D, ASN108B, ASN108D, ASP62B, ASP62D, ASP78B, ASP78D, ASP84B, ASP84D, ASP86B, ASP86D, ASP87B, ASP87D, ASP88B, ASP88D, GLU112B, GLU112D, GLU118B, GLU118D, GLY91B, GLY91D, ILE113B, ILE113D, ILE81B, ILE81D, ILE89B, ILE89D, LEU114B, LEU114D, LEU116B, LEU116D, LEU82B, LEU82D, LEU85B, LEU85D, LYS109B, LYS109D, LYS111B, LYS111D, LYS83B, LYS83D, LYS90B, LYS90D, LYS92B, LYS92D, MET64B, MET64D, PRO119B, PRO119D, SER67B, SER67D, VAL110B, VAL110D, VAL79B, VAL79D
• C-D: ALA15C, ALA15D, ALA160C, ALA160D, ALA49C, ALA49D, ALA52C, ALA52D, ALA66C, ALA66D, ARG164C, ARG164D, ARG42C, ARG42D, ARG53C, ARG53D, ASP158C, ASP158D, ASP34C, ASP50C, ASP50D, ASP62C, ASP62D, ASP84C, ASP84D, ASP86C, ASP86D, ASP87C, ASP87D, ASP88C, ASP88D, GLN161C, GLN161D, GLN54C, GLN54D, GLN60C, GLN60D, GLU11C, GLU11D, GLY154C, GLY154D, GLY156C, GLY156D, GLY39C, GLY39D, GLY43C, GLY43D, HIS165C, HIS165D, HIS3C, HIS3D, HIS56C, HIS56D, HIS59C, HIS59D, ILE18C, ILE18D, ILE55C, ILE55D, ILE81C, ILE81D, LEU127C, LEU127D, LEU166C, LEU166D, LEU35C, LEU35D, LEU37C, LEU37D, LEU41C, LEU41D, LEU51C, LEU51D, LEU57C, LEU57D, LEU82C, LEU82D, LEU85C, LEU85D, LYS162C, LYS162D, LYS83C, LYS83D, LYS92C, LYS92D, MET48C, MET48D, MET64C, MET64D, PHE45C, PHE45D, PHE47C, PHE47D, PHE63C, PHE63D, PRO167C, PRO167D, SER33C, SER33D, SER44C, SER44D, SER67D, THR58C, THR58D, THR65C, THR65D, TYR159C, TYR159D, TYR163C, TYR163D, TYR168C, TYR168D, VAL14C, VAL14D, VAL155C, VAL155D, VAL36C, VAL36D, VAL38C, VAL38D, VAL46C, VAL46D, VAL5C, VAL5D, VAL61C, VAL61D, VAL97C, VAL97D