2VD0

complex structure of prostaglandin d2 synthase at 2.2a.

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 62
  • Norm. En. per Res.: -3.3747
• Hub Node: A(2)

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	-2.6725	-2.2824	-332.874	-337.8289	129	10	4	12443	3	52	34
A-C	-32.4514	-55.858	-120.923	-209.2324	62	9	2	5003	6	27	18
B-C	0.0	-4.2391	-37.2764	-41.5155	26	2	0	1602	0	7	10
C-D	-13.0725	-9.4633	-322.195	-344.7308	145	9	4	11871	3	56	37

Interface residues

• A-B: ALA66A, ALA66B, ALA68A, ALA68B, ALA78A, ALA78B, ALA90A, ALA90B, ARG138B, ARG14A, ARG14B, ARG69A, ARG69B, ASN123B, ASN74A, ASN74B, ASP130A, ASP130B, ASP132A, ASP132B, ASP57A, ASP57B, ASP89A, ASP89B, ASP93A, ASP93B, ASP96A, ASP96B, ASP97A, ASP97B, CYS101A, CYS101B, CYS86A, CYS86B, GLN129A, GLN129B, GLN63A, GLN63B, GLN85A, GLN85B, GLU55A, GLU55B, GLU82A, GLU82B, GLU84A, GLU84B, GLY49A, GLY49B, GLY58A, GLY79A, GLY79B, HIS126A, HIS126B, HIS62A, HIS62B, HIS87A, HIS87B, ILE142A, ILE142B, ILE67A, ILE67B, ILE91A, ILE91B, LEU127A, LEU127B, LEU131A, LEU131B, LEU135A, LEU135B, LEU141A, LEU141B, LEU174A, LEU46A, LEU46B, LEU54A, LEU54B, LEU59A, LEU59B, LEU61A, LEU61B, LEU65A, LEU65B, LEU71A, LEU71B, LEU95A, LEU95B, LYS43B, LYS50A, LYS50B, LYS73A, LYS73B, MET128A, MET128B, MET83A, MET83B, PHE48A, PHE48B, PHE98A, PHE98B, PRO2A, PRO2B, PRO47A, PRO47B, SER100A, SER100B, SER64A, SER64B, THR133A, THR133B, THR60A, THR60B, THR81A, THR81B, THR94A, THR94B, TRP148A, TRP148B, TYR134A, TYR134B, TYR4A, TYR4B, TYR70A, TYR70B, VAL56A, VAL56B, VAL88A, VAL88B, VAL92A, VAL92B
• A-C: ALA183C, ALA186C, ALA188C, ARG12C, ARG138A, ARG173A, ARG178C, ARG194C, ASN117A, ASN123A, ASN170A, ASN170C, ASN189C, ASP130A, ASP132A, ASP166A, ASP166C, ASP169A, ASP169C, GLN129A, GLN182C, GLN196C, GLU118A, GLU154C, GLY136A, GLY137A, HIS126A, HIS171A, HIS171C, ILE184C, ILE191C, LEU120A, LEU127A, LEU131A, LEU135A, LEU161C, LEU167C, LEU168A, LEU168C, LEU174C, LYS164A, LYS164C, LYS179C, LYS180C, LYS192C, MET128A, PRO125A, PRO165C, PRO172A, PRO172C, PRO185C, THR121A, THR133A, THR158C, THR176C, THR197C, TYR122A, TYR134A, VAL162C, VAL175C, VAL181C, VAL187C
• B-C: ARG138C, ARG173C, ASP132C, ASP169C, GLU139C, GLU41B, GLY136C, GLY137C, GLY49B, HIS171C, ILE42B, LEU135C, LEU174C, LEU177C, LEU46B, LYS179C, LYS180C, LYS43B, PHE48B, PRO172C, PRO40B, PRO47B, SER44B, THR176C, THR45B, VAL175C
• C-D: ALA105C, ALA105D, ALA66C, ALA66D, ALA68C, ALA68D, ALA78C, ALA90C, ALA90D, ARG138C, ARG138D, ARG14C, ARG14D, ARG69C, ARG69D, ASN123C, ASN123D, ASN74C, ASN74D, ASP130C, ASP130D, ASP132C, ASP132D, ASP57C, ASP57D, ASP89C, ASP89D, ASP93C, ASP93D, ASP96C, ASP96D, ASP97C, ASP97D, CYS101C, CYS101D, CYS86C, CYS86D, GLN114D, GLN129C, GLN129D, GLN63C, GLN63D, GLN85C, GLN85D, GLU106C, GLU106D, GLU118C, GLU118D, GLU82C, GLU82D, GLU84C, GLU84D, GLY49C, GLY49D, GLY79C, HIS126C, HIS126D, HIS62C, HIS62D, HIS87C, HIS87D, ILE142C, ILE142D, ILE67C, ILE67D, ILE91C, ILE91D, LEU127C, LEU127D, LEU131C, LEU131D, LEU135C, LEU135D, LEU141C, LEU141D, LEU174C, LEU174D, LEU46C, LEU46D, LEU54C, LEU54D, LEU59C, LEU59D, LEU61C, LEU61D, LEU65C, LEU65D, LEU71C, LEU71D, LEU95C, LEU95D, LYS108C, LYS108D, LYS43C, LYS43D, LYS50C, LYS50D, LYS73C, LYS73D, MET115C, MET115D, MET128C, MET128D, MET83C, MET83D, PHE48C, PHE48D, PHE98C, PHE98D, PRO103C, PRO103D, PRO2C, PRO2D, PRO47C, PRO47D, SER100C, SER100D, SER44C, SER44D, SER64C, SER64D, THR133C, THR133D, THR60C, THR60D, THR81C, THR81D, THR94C, THR94D, TRP148C, TRP148D, TYR122C, TYR134C, TYR134D, TYR4C, TYR4D, TYR70C, TYR70D, VAL111C, VAL56C, VAL56D, VAL88C, VAL88D, VAL92C, VAL92D