1WMW

crystal structure of geranulgeranyl diphosphate synthase from thermus thermophilus

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 170
  • Norm. En. per Res.: -3.7813
• 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	-18.9353	-92.726	-510.145	-621.8064	172	12	21	20460	12	69	73
A-D	-17.193	-35.7763	-103.493	-156.4623	69	4	0	4744	2	20	24
B-C	-4.7063	22.8281	-35.9736	-17.8518	39	0	0	1844	1	14	9
B-D	-3.1513	10.9133	-57.3757	-49.6138	43	1	0	2668	3	11	14
C-D	-21.601	-98.0817	-523.134	-642.8167	170	17	21	20910	12	72	73

Interface residues

• A-B: ALA103A, ALA103B, ALA106A, ALA106B, ALA109A, ALA109B, ALA112A, ALA112B, ALA119A, ALA119B, ALA123A, ALA123B, ALA143A, ALA143B, ALA18A, ALA18B, ARG124A, ARG124B, ARG140A, ARG140B, ARG141A, ARG141B, ARG167A, ARG167B, ARG19A, ARG19B, ARG28A, ARG28B, ASN105A, ASN105B, ASP108A, ASP108B, ASP149A, ASP149B, ASP21A, ASP21B, ASP24A, ASP24B, ASP29A, ASP79A, ASP79B, ASP80A, ASP80B, ASP83A, ASP83B, GLN146A, GLN146B, GLU113A, GLU113B, GLU120A, GLU120B, GLU130A, GLU130B, GLU134A, GLU134B, GLU137A, GLU137B, GLU82A, GLU82B, GLY107A, GLY107B, GLY116A, GLY116B, GLY121A, GLY121B, GLY125A, GLY125B, GLY145A, GLY145B, GLY155A, GLY155B, GLY84A, GLY84B, HIS111A, HIS111B, HIS136A, HIS136B, HIS147A, HIS147B, HIS171A, HIS171B, HIS22A, HIS22B, HIS78A, HIS78B, HIS95A, HIS95B, HIS98A, HIS98B, ILE81A, ILE81B, LEU102A, LEU102B, LEU104A, LEU104B, LEU117A, LEU117B, LEU118A, LEU118B, LEU122A, LEU122B, LEU132A, LEU132B, LEU133A, LEU133B, LEU148A, LEU148B, LEU150A, LEU150B, LEU151A, LEU151B, LEU154A, LEU154B, LEU20A, LEU20B, LEU26A, LEU26B, LEU30A, LEU30B, LEU31A, LEU31B, LEU70A, LYS172A, LYS235A, MET100A, MET100B, MET110A, MET110B, MET114A, MET114B, PHE127A, PHE127B, PHE135A, PHE135B, PHE71A, PHE71B, PRO101A, PRO101B, PRO128A, PRO128B, PRO129A, PRO129B, PRO23A, PRO23B, PRO25A, PRO25B, PRO99A, PRO99B, THR142A, THR142B, THR153A, THR153B, TRP115A, TRP115B, TRP152A, TRP152B, TRP74A, TRP74B, TYR144A, TYR144B, TYR27A, TYR27B, VAL131A, VAL131B, VAL138A, VAL138B, VAL139A, VAL139B, VAL75A, VAL75B, VAL77A, VAL77B
• A-D: ALA119A, ALA11D, ALA123A, ALA186A, ALA189A, ALA314A, ALA4D, ALA51A, ALA53A, ALA56A, ALA60A, ALA7D, ARG124A, ARG28D, ARG36D, ARG37D, ARG88D, ARG89D, ARG91D, ARG9D, ASP29D, ASP33D, GLN10D, GLN13D, GLN32D, GLU120A, GLU130A, GLU14D, GLU313A, GLU59A, GLU63A, GLU6D, GLY121A, GLY125A, GLY190A, GLY311A, GLY38D, GLY39D, GLY55A, GLY90D, HIS54A, ILE8D, LEU122A, LEU126A, LEU12D, LEU133A, LEU17D, LEU187A, LEU188A, LEU321D, LEU52A, LEU58A, LEU97D, LYS191A, LYS312A, LYS40D, MET1A, MET41D, PHE127A, PRO128A, PRO129A, PRO193A, PRO310A, PRO35D, PRO3A, PRO57A, PRO5D, THR192A, VAL2A
• B-C: ALA189B, ALA305B, ALA314B, ALA53B, ALA56B, ARG161C, ARG167C, ARG236C, ARG252C, ASP159C, ASP164C, ASP308B, GLN307B, GLU163C, GLU313B, GLU59B, GLY155C, GLY156C, GLY190B, GLY311B, GLY55B, HIS54B, LEU148C, LEU151C, LEU160C, LEU309B, LEU52B, LEU58B, LYS191B, LYS312B, PHE158C, PHE306B, PRO310B, PRO3B, PRO57B, THR157C, TRP152C, TYR144C, VAL2B
• B-D: ALA123B, ALA186B, ALA189B, ALA56B, ALA60B, ARG124B, ARG28D, ARG36D, ARG37D, ARG91D, ARG96D, ASP24D, ASP29D, ASP33D, GLN32D, GLU120B, GLU130B, GLY121B, GLY125B, GLY190B, GLY55B, HIS98D, LEU122B, LEU126B, LEU133B, LEU187B, LEU188B, LEU26D, LEU30D, LEU94D, LEU97D, LYS191B, PHE127B, PRO128B, PRO129B, PRO193B, PRO23D, PRO25D, PRO57B, PRO92D, THR192B, TYR27D, VAL131B
• C-D: ALA103C, ALA103D, ALA106C, ALA106D, ALA109C, ALA109D, ALA112C, ALA112D, ALA119C, ALA119D, ALA123C, ALA123D, ALA143C, ALA143D, ALA18C, ALA18D, ARG124C, ARG124D, ARG140C, ARG140D, ARG141C, ARG141D, ARG167C, ARG167D, ARG19C, ARG19D, ARG28C, ARG28D, ASN105C, ASN105D, ASP108C, ASP108D, ASP149C, ASP149D, ASP21C, ASP21D, ASP24C, ASP24D, ASP29C, ASP79C, ASP79D, ASP80C, ASP80D, ASP83C, ASP83D, GLN146C, GLN146D, GLU113C, GLU113D, GLU120C, GLU120D, GLU130C, GLU130D, GLU134C, GLU134D, GLU137C, GLU137D, GLU82C, GLU82D, GLY107C, GLY107D, GLY116C, GLY116D, GLY121C, GLY121D, GLY125C, GLY125D, GLY145C, GLY145D, GLY155C, GLY155D, GLY84C, GLY84D, HIS111C, HIS111D, HIS136C, HIS136D, HIS147C, HIS147D, HIS171C, HIS171D, HIS22C, HIS22D, HIS78C, HIS78D, HIS95C, HIS95D, HIS98C, HIS98D, ILE81C, ILE81D, LEU102C, LEU102D, LEU104C, LEU104D, LEU117C, LEU117D, LEU118C, LEU118D, LEU122C, LEU122D, LEU132C, LEU132D, LEU133C, LEU133D, LEU148C, LEU148D, LEU150C, LEU150D, LEU151C, LEU151D, LEU154C, LEU154D, LEU20C, LEU20D, LEU26C, LEU26D, LEU30C, LEU30D, LEU31C, LEU31D, LYS235C, MET100C, MET100D, MET110C, MET110D, MET114C, MET114D, PHE127C, PHE127D, PHE135C, PHE135D, PHE71C, PHE71D, PRO101C, PRO101D, PRO128C, PRO128D, PRO129C, PRO129D, PRO23C, PRO23D, PRO25C, PRO25D, PRO99C, PRO99D, THR142C, THR142D, THR153C, THR153D, TRP115C, TRP115D, TRP152C, TRP152D, TRP74C, TRP74D, TYR144C, TYR144D, TYR27C, TYR27D, VAL131C, VAL131D, VAL138C, VAL138D, VAL139C, VAL139D, VAL75C, VAL75D, VAL77C, VAL77D