1VHA

crystal structure of 2c-methyl-d-erythritol 2,4-cyclodiphosphate synthase

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 112
  • Norm. En. per Res.: -3.8771
• 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	-78.3597	-20.4038	-296.32	-395.0835	115	15	9	12165	7	34	33
A-C	-67.6779	-21.8778	-302.065	-391.6208	114	21	11	12201	7	33	33
B-C	-67.7638	3.8871	-289.963	-353.8397	113	19	10	12537	6	33	34
C-F	-9.0055	-4.4858	-31.3542	-44.8455	48	1	0	1703	4	36	37
D-E	-74.9762	-44.6648	-309.251	-428.892	115	22	10	12515	6	34	34
D-F	-91.4363	-33.8126	-308.991	-434.2399	112	16	11	12526	10	33	33
E-F	-74.932	-31.5898	-282.096	-388.6178	113	20	11	12184	5	33	33

Interface residues

• A-B: ALA101B, ALA12A, ALA132B, ALA148A, ALA148B, ALA151A, ALA151B, ALA153A, ALA153B, ALA34A, ALA44A, ALA48A, ALA48B, ALA52A, ALA52B, ALA53A, ALA54A, ARG107B, ARG114B, ARG143A, ARG143B, ARG157A, ARG3A, ARG3B, ASN129B, ASN94B, ASP111B, ASP124B, ASP47A, ASP57A, ASP96B, ASP9A, CYS123B, CYS149A, CYS149B, GLN102B, GLN127B, GLN144A, GLU126B, GLU136B, GLU145A, GLU150A, GLU150B, GLY139A, GLY139B, GLY142B, GLY146A, GLY31A, GLY38A, GLY51A, GLY56A, GLY59A, GLY5A, GLY5B, GLY7A, GLY7B, GLY93B, HIS11A, HIS35A, HIS43A, HIS6A, HIS6B, ILE100A, ILE100B, ILE110B, ILE125B, ILE147A, ILE156B, ILE2A, ILE2B, ILE33A, ILE49A, ILE4A, ILE4B, ILE58A, ILE92B, ILE97B, ILE99B, LEU138B, LEU154A, LEU154B, LEU155A, LEU155B, LEU1A, LEU1B, LEU50A, LEU55A, LYS131B, LYS137B, LYS60A, LYS88A, LYS91B, PHE13A, PHE140A, PHE140B, PHE32A, PHE8A, PHE8B, SER0A, SER36A, THR133B, THR134B, THR135B, THR141A, THR141B, THR46A, THR98B, TYR90A, VAL10A, VAL128B, VAL130B, VAL152A, VAL152B, VAL40A, VAL95B
• A-C: ALA101A, ALA12C, ALA132A, ALA148A, ALA148C, ALA151A, ALA151C, ALA153A, ALA153C, ALA34C, ALA44C, ALA48A, ALA48C, ALA52A, ALA52C, ALA53C, ALA54C, ARG107A, ARG114A, ARG143A, ARG143C, ARG157C, ARG3A, ARG3C, ASN129A, ASN94A, ASP111A, ASP124A, ASP47C, ASP57C, ASP96A, ASP9C, CYS123A, CYS149A, CYS149C, GLN102A, GLN127A, GLN144C, GLU126A, GLU136A, GLU145C, GLU150A, GLU150C, GLY139A, GLY139C, GLY142A, GLY146C, GLY31C, GLY38C, GLY51C, GLY56C, GLY59C, GLY5A, GLY5C, GLY7A, GLY7C, GLY93A, HIS11C, HIS35C, HIS43C, HIS6A, HIS6C, ILE100A, ILE110A, ILE125A, ILE147C, ILE156A, ILE2A, ILE2C, ILE33C, ILE49C, ILE4A, ILE4C, ILE58C, ILE92A, ILE97A, ILE99A, LEU138A, LEU154A, LEU154C, LEU155A, LEU155C, LEU1A, LEU1C, LEU50C, LEU55C, LYS131A, LYS137A, LYS60C, LYS88C, LYS91A, PHE13C, PHE140A, PHE140C, PHE32C, PHE8A, PHE8C, SER0C, SER36C, THR133A, THR134A, THR135A, THR141A, THR141C, THR46C, THR98A, TYR90C, VAL10C, VAL128A, VAL130A, VAL152A, VAL152C, VAL40C, VAL95A
• B-C: ALA101C, ALA12B, ALA132C, ALA148B, ALA148C, ALA151B, ALA151C, ALA153B, ALA153C, ALA34B, ALA44B, ALA48B, ALA48C, ALA52B, ALA53B, ALA54B, ARG107C, ARG114C, ARG143B, ARG143C, ARG157B, ARG3B, ARG3C, ASN129C, ASN94C, ASP111C, ASP124C, ASP47B, ASP57B, ASP96C, ASP9B, CYS123C, CYS149B, CYS149C, GLN102C, GLN127C, GLN144B, GLU126C, GLU136C, GLU145B, GLU150B, GLU150C, GLY139B, GLY139C, GLY142C, GLY146B, GLY31B, GLY38B, GLY51B, GLY56B, GLY59B, GLY5B, GLY5C, GLY7B, GLY93C, HIS109C, HIS11B, HIS35B, HIS43B, HIS6B, HIS6C, ILE100C, ILE110C, ILE125C, ILE147B, ILE156C, ILE2B, ILE2C, ILE33B, ILE49B, ILE4B, ILE4C, ILE58B, ILE92C, ILE97C, ILE99C, LEU138C, LEU154B, LEU154C, LEU155B, LEU155C, LEU1B, LEU1C, LEU50B, LEU55B, LYS131C, LYS137C, LYS60B, LYS88B, LYS91C, PHE13B, PHE140B, PHE140C, PHE32B, PHE8B, PHE8C, PRO108C, SER0B, SER36B, THR133C, THR134C, THR135C, THR141B, THR141C, THR46B, THR98C, TYR90B, VAL10B, VAL128C, VAL130C, VAL152B, VAL152C, VAL95C
• C-F: ALA112C, ALA112F, ALA115F, ALA118F, ALA72C, ARG114F, ARG17C, ARG75C, ARG79C, ARG83F, ASN71C, ASN71F, ASP111F, ASP120C, ASP124F, ASP16C, ASP37C, ASP73C, CYS123F, GLN122F, GLN158F, GLN84F, GLN86F, GLU119C, GLU119F, GLU15C, GLU25C, GLU80F, GLU87F, GLY76C, GLY89F, HIS109C, ILE125F, ILE20C, LEU61F, LEU77C, LYS116C, LYS116F, LYS70C, LYS88F, PHE62F, PHE82F, PRO18C, PRO27C, PRO63F, SER36C, SER74C, VAL26C
• D-E: ALA101E, ALA12D, ALA132E, ALA148D, ALA148E, ALA151D, ALA151E, ALA153D, ALA153E, ALA34D, ALA44D, ALA48D, ALA48E, ALA52D, ALA52E, ALA53D, ALA54D, ARG107E, ARG114E, ARG143D, ARG143E, ARG157D, ARG3D, ARG3E, ASN129E, ASN94E, ASP111E, ASP124E, ASP47D, ASP57D, ASP96E, ASP9D, CYS149D, CYS149E, GLN102E, GLN127E, GLN144D, GLU126E, GLU136E, GLU145D, GLU150D, GLU150E, GLY139D, GLY139E, GLY142E, GLY146D, GLY31D, GLY38D, GLY51D, GLY56D, GLY59D, GLY5D, GLY5E, GLY7D, GLY7E, GLY93E, HIS11D, HIS35D, HIS43D, HIS6D, HIS6E, ILE100E, ILE110E, ILE125E, ILE147D, ILE156E, ILE2D, ILE2E, ILE33D, ILE49D, ILE4D, ILE4E, ILE58D, ILE92E, ILE97E, ILE99E, LEU138E, LEU154D, LEU154E, LEU155D, LEU155E, LEU1D, LEU1E, LEU45D, LEU50D, LEU55D, LEU61D, LYS131E, LYS137E, LYS60D, LYS88D, PHE13D, PHE140D, PHE140E, PHE32D, PHE62D, PHE8D, PHE8E, SER0D, SER36D, THR133E, THR134E, THR135E, THR141D, THR141E, THR46D, THR98E, TYR90D, VAL10D, VAL128E, VAL130E, VAL152D, VAL152E, VAL40D, VAL95E
• D-F: ALA101D, ALA12F, ALA132D, ALA148D, ALA148F, ALA151D, ALA151F, ALA153D, ALA153F, ALA34F, ALA44F, ALA48D, ALA48F, ALA52D, ALA52F, ALA53F, ALA54F, ARG107D, ARG114D, ARG143D, ARG143F, ARG157F, ARG3D, ARG3F, ASN129D, ASN94D, ASP111D, ASP124D, ASP47F, ASP57F, ASP96D, ASP9F, CYS123D, CYS149D, GLN102D, GLN127D, GLN144F, GLU126D, GLU136D, GLU145F, GLU150D, GLU150F, GLY139D, GLY139F, GLY142D, GLY146F, GLY31F, GLY38F, GLY51F, GLY56F, GLY59F, GLY5D, GLY5F, GLY7F, GLY93D, HIS11F, HIS35F, HIS43F, HIS6D, HIS6F, ILE100D, ILE110D, ILE125D, ILE147F, ILE156D, ILE2D, ILE2F, ILE33F, ILE49F, ILE4D, ILE4F, ILE58F, ILE92D, ILE97D, ILE99D, LEU138D, LEU154D, LEU154F, LEU155D, LEU155F, LEU1F, LEU50F, LEU55F, LYS131D, LYS137D, LYS60F, LYS88F, LYS91D, PHE13F, PHE140D, PHE140F, PHE32F, PHE8D, PHE8F, PRO108D, SER0F, SER36F, THR133D, THR134D, THR135D, THR141D, THR141F, THR46F, THR98D, TYR90F, VAL10F, VAL128D, VAL130D, VAL152D, VAL152F, VAL40F, VAL95D
• E-F: ALA101F, ALA12E, ALA132F, ALA148E, ALA148F, ALA151E, ALA151F, ALA153E, ALA153F, ALA34E, ALA44E, ALA48E, ALA48F, ALA52E, ALA52F, ALA53E, ALA54E, ARG107F, ARG114F, ARG143E, ARG143F, ARG157E, ARG3E, ARG3F, ASN129F, ASN94F, ASP111F, ASP124F, ASP47E, ASP57E, ASP96F, ASP9E, CYS123F, CYS149F, GLN102F, GLN127F, GLN144E, GLU126F, GLU136F, GLU145E, GLU150E, GLU150F, GLY139E, GLY139F, GLY142F, GLY146E, GLY31E, GLY38E, GLY51E, GLY56E, GLY59E, GLY5E, GLY5F, GLY7E, GLY7F, GLY93F, HIS11E, HIS35E, HIS43E, HIS6E, HIS6F, ILE100F, ILE110F, ILE125F, ILE147E, ILE156F, ILE2E, ILE2F, ILE33E, ILE49E, ILE4E, ILE4F, ILE58E, ILE92F, ILE97F, ILE99F, LEU138F, LEU154E, LEU154F, LEU155E, LEU155F, LEU1E, LEU1F, LEU50E, LEU55E, LYS131F, LYS137F, LYS60E, LYS88E, PHE13E, PHE140E, PHE140F, PHE32E, PHE8E, PHE8F, PRO108F, SER0E, SER36E, THR133F, THR134F, THR135F, THR141E, THR141F, THR46E, THR98F, TYR90E, VAL10E, VAL128F, VAL130F, VAL152E, VAL152F, VAL40E, VAL95F