2Q80

crystal structure of human geranylgeranyl pyrophosphate synthase bound to ggpp

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 52
  • Norm. En. per Res.: -3.1464
• Hub Node: A(4)

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	-7.4159	-2.0213	-433.164	-442.6012	148	19	18	19174	0	18	22
A-C	0.0	-25.5387	-50.8593	-76.398	26	2	1	2048	0	4	6
A-D	-9.7461	-11.0463	-114.367	-135.1593	55	4	2	4841	0	10	14
A-E	-18.3339	-6.2201	-116.396	-140.95	54	3	3	4931	0	11	15
B-C	-28.3992	-13.3213	-121.893	-163.6134	52	7	3	4899	0	11	14
B-E	0.0	-26.5347	-51.1211	-77.6558	26	1	1	2053	0	4	6
B-F	-5.999	-13.0762	-117.282	-136.3572	52	4	3	4792	0	10	14
C-D	-3.3013	0.0	-438.751	-442.0523	147	25	19	19219	0	19	22
C-F	-19.0787	-18.3005	-116.114	-153.4932	50	3	3	4735	1	11	14
D-E	-14.2128	4.0921	-115.761	-125.8817	53	2	3	4735	0	10	14
D-F	0.0	-24.3488	-53.3247	-77.6735	27	1	1	2109	0	4	6
E-F	-15.5314	0.0	-417.741	-433.2724	147	20	17	18535	0	18	22

Interface residues

• A-B: ALA111A, ALA111B, ALA146B, ALA59A, ALA59B, ALA92A, ALA92B, ARG117A, ARG117B, ARG133A, ARG133B, ARG237A, ARG237B, ASN135A, ASN135B, ASN69A, ASN69B, ASN90A, ASN90B, ASN93A, ASN93B, ASP110A, ASP110B, ASP129A, ASP129B, ASP134A, ASP134B, ASP64A, ASP64B, ASP65A, ASP65B, ASP68A, ASP68B, GLN118A, GLN118B, GLN124A, GLN124B, GLN126A, GLN126B, GLN150A, GLN150B, GLN9A, GLN9B, GLU101A, GLU101B, GLU121A, GLU121B, GLU14A, GLU14B, GLU210A, GLU210B, GLU67A, GLU67B, GLU6A, GLU6B, GLY125A, GLY125B, GLY127A, GLY127B, GLY84A, GLY84B, GLY99A, GLY99B, HIS123A, HIS123B, ILE11A, ILE11B, ILE130A, ILE130B, ILE63A, ILE63B, ILE66A, ILE66B, ILE85A, ILE85B, ILE89A, ILE89B, LEU100A, LEU100B, LEU104A, LEU104B, LEU114A, LEU114B, LEU119A, LEU119B, LEU120A, LEU120B, LEU122A, LEU122B, LEU128A, LEU128B, LEU12A, LEU12B, LEU13A, LEU13B, LEU56A, LEU56B, LEU62A, LEU62B, LEU98A, LEU98B, LYS102A, LYS102B, LYS113A, LYS113B, MET147A, MET147B, MET55A, PHE115A, PHE115B, PHE97A, PHE97B, PRO109A, PRO109B, PRO15A, PRO15B, PRO86A, PRO86B, SER60A, SER60B, SER87A, SER87B, SER91A, SER91B, THR116A, THR116B, THR7A, THR7B, TRP132A, TRP132B, TYR131A, TYR131B, TYR83A, TYR83B, TYR94A, TYR94B, TYR96A, TYR96B, VAL103A, VAL103B, VAL112A, VAL112B, VAL88A, VAL88B, VAL8A, VAL8B, VAL95A, VAL95B
• A-C: ARG133A, ARG133C, ARG235A, ARG235C, ARG237A, ARG237C, ASN135A, ASN135C, ASN232A, ASN232C, ASP134A, ASP134C, GLN231A, GLN231C, GLN236A, GLN236C, ILE130A, ILE130C, THR137A, THR137C, THR228A, THR228C, TYR131A, TYR131C, TYR136A, TYR136C
• A-D: ALA79D, ARG10D, ARG235A, ASN232A, ASN240A, ASP242A, ASP253A, CYS247A, GLN21D, GLN229A, GLN231A, GLN236A, GLU14D, GLU206D, GLU226A, GLU239D, GLY75D, GLY84D, HIS249A, HIS80D, ILE11D, ILE233A, ILE241A, ILE243A, ILE82D, ILE85D, LEU19D, LEU22D, LEU234A, LEU72D, LYS17D, LYS244A, LYS245A, LYS71D, PHE204D, PHE76D, PRO15D, PRO225A, PRO77D, PRO86D, SER203D, SER227A, SER70D, SER81D, SER87D, THR228A, THR238A, THR7D, TYR18D, TYR246A, TYR250A, TYR83D, VAL230A, VAL78D, VAL88D
• A-E: ALA79A, ARG10A, ARG224E, ARG235E, ARG73A, ASN232E, ASN240E, ASP242E, ASP253E, CYS247E, GLN21A, GLN229E, GLN231E, GLN236E, GLU14A, GLU226E, GLU239A, GLY75A, GLY84A, HIS249E, HIS80A, ILE11A, ILE233E, ILE241E, ILE243E, ILE82A, ILE85A, LEU19A, LEU22A, LEU234E, LEU72A, LYS17A, LYS244E, LYS245E, LYS71A, PHE204A, PHE76A, PRO15A, PRO225E, PRO77A, PRO86A, SER203A, SER227E, SER81A, SER87A, THR228E, THR238E, THR7A, TYR18A, TYR246E, TYR250E, TYR83A, VAL230E, VAL78A
• B-C: ALA79B, ARG10B, ARG235C, ARG73B, ASN232C, ASN240C, ASP242C, ASP253C, CYS247C, GLN21B, GLN229C, GLN231C, GLN236C, GLU14B, GLU226C, GLU239B, GLY75B, GLY84B, HIS249C, HIS80B, ILE11B, ILE233C, ILE241C, ILE243C, ILE82B, ILE85B, LEU22B, LEU234C, LEU72B, LYS244C, LYS245C, LYS71B, PHE76B, PRO15B, PRO225C, PRO77B, PRO86B, SER203B, SER227C, SER70B, SER81B, SER87B, THR228C, THR238C, THR7B, TYR18B, TYR246C, TYR250C, TYR83B, VAL230C, VAL78B, VAL88B
• B-E: ARG133B, ARG133E, ARG235B, ARG235E, ARG237B, ARG237E, ASN135B, ASN135E, ASN232B, ASN232E, ASP134B, ASP134E, GLN231B, GLN231E, GLN236B, GLN236E, ILE130B, ILE130E, THR137B, THR137E, THR228B, THR228E, TYR131B, TYR131E, TYR136B, TYR136E
• B-F: ALA79F, ARG10F, ARG224B, ARG235B, ASN232B, ASN240B, ASP242B, ASP253B, CYS247B, GLN21F, GLN229B, GLN231B, GLN236B, GLU14F, GLU226B, GLU239F, GLY75F, GLY84F, HIS249B, HIS80F, ILE11F, ILE233B, ILE241B, ILE243B, ILE82F, ILE85F, LEU22F, LEU234B, LEU72F, LYS244B, LYS245B, LYS71F, PHE76F, PRO15F, PRO225B, PRO77F, PRO86F, SER203F, SER227B, SER70F, SER81F, SER87F, THR228B, THR238B, THR7F, TYR18F, TYR246B, TYR250B, TYR83F, VAL230B, VAL78F, VAL88F
• C-D: ALA111C, ALA111D, ALA146C, ALA59C, ALA59D, ALA92C, ALA92D, ARG10D, ARG117C, ARG117D, ARG133C, ARG133D, ARG237C, ARG237D, ASN135C, ASN135D, ASN69C, ASN69D, ASN90C, ASN90D, ASN93C, ASN93D, ASP110C, ASP110D, ASP129C, ASP129D, ASP134C, ASP134D, ASP64C, ASP64D, ASP68C, ASP68D, GLN118C, GLN118D, GLN124C, GLN124D, GLN126C, GLN126D, GLN150C, GLN150D, GLN9C, GLN9D, GLU101C, GLU101D, GLU121C, GLU121D, GLU14C, GLU14D, GLU210C, GLU210D, GLU67C, GLU67D, GLU6C, GLU6D, GLY125C, GLY125D, GLY127C, GLY127D, GLY84C, GLY84D, GLY99C, GLY99D, HIS123C, HIS123D, ILE11C, ILE11D, ILE130C, ILE130D, ILE63C, ILE63D, ILE66C, ILE66D, ILE85C, ILE85D, ILE89C, ILE89D, LEU100C, LEU100D, LEU104C, LEU104D, LEU114C, LEU114D, LEU119C, LEU119D, LEU120C, LEU120D, LEU122C, LEU122D, LEU128C, LEU128D, LEU12C, LEU12D, LEU13C, LEU13D, LEU56C, LEU56D, LEU62C, LEU62D, LEU98C, LEU98D, LYS102C, LYS102D, LYS113C, LYS113D, LYS151C, MET147C, MET147D, MET55D, PHE115C, PHE115D, PHE97C, PHE97D, PRO109C, PRO109D, PRO15D, PRO86C, PRO86D, SER60C, SER60D, SER87C, SER87D, SER91C, SER91D, THR116C, THR116D, THR7C, THR7D, TRP132C, TRP132D, TYR131C, TYR131D, TYR83C, TYR83D, TYR94C, TYR94D, TYR96C, TYR96D, VAL103C, VAL103D, VAL112C, VAL112D, VAL88C, VAL88D, VAL8C, VAL8D, VAL95C, VAL95D
• C-F: ALA79C, ARG10C, ARG235F, ASN232F, ASN240F, ASP242F, ASP253F, CYS247F, GLN21C, GLN229F, GLN231F, GLN236F, GLU14C, GLU226F, GLU239C, GLY75C, GLY84C, HIS249F, HIS80C, ILE11C, ILE233F, ILE241F, ILE243F, ILE82C, ILE85C, LEU22C, LEU234F, LEU72C, LYS244F, LYS245F, LYS71C, PHE76C, PRO15C, PRO225F, PRO77C, PRO86C, SER203C, SER227F, SER81C, SER87C, THR228F, THR238F, THR7C, TYR18C, TYR246F, TYR250F, TYR83C, VAL230F, VAL78C, VAL88C
• D-E: ALA79E, ARG10E, ARG235D, ASN232D, ASN240D, ASP242D, ASP253D, CYS247D, GLN21E, GLN229D, GLN231D, GLN236D, GLU14E, GLU226D, GLU239E, GLY75E, GLY84E, HIS249D, HIS80E, ILE11E, ILE233D, ILE241D, ILE243D, ILE82E, ILE85E, LEU22E, LEU234D, LEU72E, LYS17E, LYS244D, LYS245D, LYS71E, PHE204E, PHE76E, PRO15E, PRO225D, PRO77E, PRO86E, SER203E, SER227D, SER70E, SER81E, SER87E, THR228D, THR238D, THR7E, TYR18E, TYR246D, TYR250D, TYR83E, VAL230D, VAL78E, VAL88E
• D-F: ARG133D, ARG133F, ARG235D, ARG235F, ARG237D, ARG237F, ASN135D, ASN135F, ASN232D, ASN232F, ASP134D, ASP134F, GLN231D, GLN231F, GLN236D, GLN236F, ILE130D, ILE130F, PRO225D, THR137D, THR137F, THR228D, THR228F, TYR131D, TYR131F, TYR136D, TYR136F
• E-F: ALA111E, ALA111F, ALA59E, ALA59F, ALA92E, ALA92F, ARG117E, ARG117F, ARG133E, ARG133F, ARG237E, ARG237F, ASN135E, ASN135F, ASN69E, ASN69F, ASN90E, ASN90F, ASN93E, ASN93F, ASP110E, ASP110F, ASP129E, ASP129F, ASP134E, ASP134F, ASP64E, ASP64F, ASP65F, ASP68E, ASP68F, GLN118E, GLN118F, GLN124E, GLN124F, GLN126E, GLN126F, GLN150E, GLN150F, GLN9E, GLN9F, GLU101E, GLU101F, GLU121E, GLU121F, GLU14E, GLU14F, GLU210E, GLU210F, GLU67E, GLU67F, GLU6E, GLU6F, GLY125E, GLY125F, GLY127E, GLY127F, GLY84E, GLY84F, GLY99E, GLY99F, HIS123E, HIS123F, ILE11E, ILE11F, ILE130E, ILE130F, ILE63E, ILE63F, ILE66E, ILE66F, ILE85E, ILE85F, ILE89E, ILE89F, LEU100E, LEU100F, LEU104E, LEU104F, LEU114E, LEU114F, LEU119E, LEU119F, LEU120E, LEU120F, LEU122E, LEU122F, LEU128E, LEU128F, LEU12E, LEU12F, LEU13E, LEU13F, LEU56E, LEU56F, LEU62E, LEU62F, LEU98E, LEU98F, LYS102E, LYS102F, LYS113E, LYS113F, MET147E, MET147F, MET55E, MET55F, PHE115E, PHE115F, PHE97E, PHE97F, PRO109E, PRO109F, PRO15E, PRO15F, PRO86E, PRO86F, SER60E, SER60F, SER87E, SER87F, SER91E, SER91F, THR116E, THR116F, THR7E, THR7F, TRP132E, TRP132F, TYR131E, TYR131F, TYR83E, TYR83F, TYR94E, TYR94F, TYR96E, TYR96F, VAL103E, VAL103F, VAL112E, VAL112F, VAL88E, VAL88F, VAL8E, VAL8F, VAL95E, VAL95F