1VGW

crystal structure of 4-diphosphocytidyl-2c-methyl-d-erythritol synthase

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 165
  • Norm. En. per Res.: -5.0124
• 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	-202.8274	-118.2903	-453.873	-774.9906	160	20	15	20287	12	39	40
A-C	0.0	-3.4853	-4.087	-7.5723	11	0	0	255	0	3	2
A-D	-2.4966	-12.2859	-70.9675	-85.75	51	6	4	3698	1	13	15
B-D	0.0	6.0313	-14.4639	-8.4326	14	1	0	675	0	3	2
C-D	-209.9508	-119.4451	-497.649	-827.0448	165	25	14	22104	12	39	39
D-F	-17.3835	23.0435	-122.975	-117.315	67	3	0	5856	0	12	17
E-F	-187.308	-101.3852	-499.955	-788.6482	162	24	15	21754	12	40	43

Interface residues

• A-B: ALA119A, ALA130A, ALA130B, ALA137A, ALA137B, ALA141A, ALA141B, ALA147A, ALA147B, ALA154A, ALA154B, ALA164A, ALA164B, ALA191A, ALA191B, ALA193A, ALA193B, ALA208A, ALA208B, ALA219A, ARG112A, ARG112B, ARG122A, ARG146A, ARG146B, ARG158A, ARG158B, ARG200A, ARG200B, ARG209A, ARG209B, ASN210A, ASN210B, ASP109A, ASP109B, ASP142A, ASP142B, ASP157A, ASP157B, ASP189A, ASP189B, ASP207A, ASP207B, ASP218A, ASP218B, ASP227A, ASP227B, CYS114A, CYS114B, GLN151A, GLN151B, GLN163A, GLN163B, GLN165A, GLN165B, GLN168A, GLN168B, GLN205A, GLN205B, GLN215A, GLN215B, GLN217A, GLN217B, GLU132A, GLU132B, GLU148A, GLU148B, GLU190A, GLU190B, GLU195A, GLU195B, GLY133A, GLY133B, GLY134A, GLY134B, GLY150A, GLY150B, GLY160A, GLY160B, GLY186A, GLY186B, GLY206A, GLY206B, ILE135A, ILE135B, ILE152A, ILE152B, ILE187A, ILE187B, ILE204A, ILE204B, ILE221A, ILE221B, LEU136A, LEU136B, LEU144A, LEU144B, LEU161A, LEU161B, LEU202A, LEU202B, LEU203A, LEU203B, LEU211A, LEU211B, LEU224A, LEU224B, LEU225A, LEU225B, LEU226A, LYS145A, LYS145B, LYS196A, LYS196B, LYS212A, LYS212B, PHE170A, PHE170B, PRO116A, PRO116B, PRO139A, PRO139B, PRO201A, PRO201B, PRO216A, PRO216B, SER149A, SER149B, SER153A, SER153B, SER159A, SER159B, SER192A, SER192B, THR143A, THR143B, THR155A, THR155B, THR166A, THR166B, THR188A, THR188B, THR214A, THR214B, TRP162A, TRP162B, TYR220A, TYR220B, VAL138A, VAL138B, VAL140A, VAL140B, VAL156A, VAL156B, VAL194A, VAL194B, VAL199A, VAL199B, VAL222A, VAL222B
• A-C: ALA154C, ARG3A, ASN129A, CB7.29487-6.97052, GLN151C, GLU148C, ILE152C, LYS2A, LYS2A5, SER149C, SER153C
• A-D: ALA100D, ALA127A, ALA130A, ALA130D, ALA131A, ALA131D, ALA178D, ARG177A, ARG177D, ARG200A, ARG200D, ARG3A, ARG3D, ASN104A, ASN129A, ASP103A, CB9.3455124.98571, GLN126A, GLN171A, GLN171D, GLU101A, GLU101D, GLU125A, GLU132A, GLU132D, GLU195D, GLY128A, GLY133A, GLY133D, GLY173D, GLY198A, GLY198D, HIS176D, LEU174A, LEU174D, LEU197A, LEU197D, LEU202A, LEU202D, LEU94D, LYS196D, LYS2A, LYS2A5, PRO201A, PRO201D, THR102A, THR102D, VAL194A, VAL194D, VAL199A, VAL199D
• B-D: ALA100D, ALA131D, ARG177D, ARG3D, ASP103D, GLN151B, GLN171D, GLU101D, GLU148B, GLY150B, GLY173D, LEU174D, SER149B, THR102D
• C-D: ALA119C, ALA119D, ALA130C, ALA130D, ALA137C, ALA137D, ALA141C, ALA141D, ALA147C, ALA147D, ALA154C, ALA154D, ALA164C, ALA164D, ALA191C, ALA191D, ALA193C, ALA193D, ALA208C, ALA208D, ALA219C, ALA219D, ARG112C, ARG112D, ARG122C, ARG122D, ARG146C, ARG146D, ARG158C, ARG158D, ARG200C, ARG200D, ARG209C, ARG209D, ARG223C, ARG223D, ASN210C, ASN210D, ASP109C, ASP109D, ASP142C, ASP142D, ASP157C, ASP157D, ASP189C, ASP189D, ASP207C, ASP207D, ASP218C, ASP218D, ASP227C, ASP227D, CYS114C, CYS114D, GLN151C, GLN151D, GLN163C, GLN163D, GLN165C, GLN165D, GLN168C, GLN168D, GLN205C, GLN205D, GLN215C, GLN215D, GLN217C, GLN217D, GLU118D, GLU132C, GLU132D, GLU148C, GLU148D, GLU190C, GLU190D, GLU195C, GLU195D, GLY133C, GLY133D, GLY134C, GLY134D, GLY150C, GLY150D, GLY160C, GLY160D, GLY186D, GLY206C, GLY206D, ILE135C, ILE135D, ILE152C, ILE152D, ILE187C, ILE187D, ILE204C, ILE204D, ILE221C, ILE221D, LEU136C, LEU136D, LEU144C, LEU144D, LEU161C, LEU161D, LEU202C, LEU202D, LEU203C, LEU203D, LEU211C, LEU211D, LEU224C, LEU224D, LEU225C, LEU225D, LEU226C, LEU226D, LYS145C, LYS145D, LYS196C, LYS196D, LYS212C, LYS212D, PHE170C, PHE170D, PRO116C, PRO116D, PRO139C, PRO139D, PRO201C, PRO201D, PRO216C, SER149C, SER149D, SER153C, SER153D, SER159C, SER159D, SER192C, SER192D, THR143C, THR143D, THR155C, THR155D, THR166C, THR166D, THR188C, THR188D, THR214C, THR214D, TRP162C, TRP162D, TYR220C, TYR220D, VAL138C, VAL138D, VAL140C, VAL140D, VAL156C, VAL156D, VAL194C, VAL194D, VAL199C, VAL199D, VAL222C, VAL222D
• D-F: ALA100D, ALA100F, ALA62F, ALA68D, ALA68F, ALA99D, ALA99F, ARG3D, ARG73D, ARG73F, ASN5D, ASP103D, ASP103F, ASP49D, ASP49F, ASP63D, ASP63F, GLN66D, GLN66F, GLN71D, GLN71F, GLU101D, GLU43D, GLU43F, GLU95D, GLU95F, GLY97D, GLY97F, ILE6D, ILE6F, LEU50D, LEU50F, LEU93D, LEU94D, LEU98D, LEU98F, LYS2F, LYS4D, LYS4F, LYS64D, LYS64F, LYS76D, LYS76F, LYS92D, LYS92F, PHE42F, PHE69D, PHE69F, PRO70D, PRO70F, THR51D, THR51F, THR67D, THR67F, THR96D, THR96F, TRP75D, TRP75F, VAL48D, VAL48F, VAL52F, VAL53F, VAL65F, VAL72D, VAL72F, VAL74D, VAL74F
• E-F: ALA119E, ALA119F, ALA137E, ALA137F, ALA141E, ALA141F, ALA147E, ALA147F, ALA154E, ALA154F, ALA164E, ALA164F, ALA191E, ALA191F, ALA193E, ALA193F, ALA208E, ALA208F, ALA219E, ARG112E, ARG112F, ARG122E, ARG122F, ARG146E, ARG146F, ARG158E, ARG158F, ARG200E, ARG200F, ARG209E, ARG209F, ARG223E, ARG223F, ASN210E, ASN210F, ASP109E, ASP109F, ASP142E, ASP142F, ASP157E, ASP157F, ASP189E, ASP189F, ASP207E, ASP207F, ASP218E, ASP218F, ASP227E, ASP227F, CYS114E, CYS114F, GLN151E, GLN151F, GLN163E, GLN163F, GLN165E, GLN165F, GLN168E, GLN168F, GLN205E, GLN205F, GLN215E, GLN215F, GLN217E, GLN217F, GLU118E, GLU118F, GLU132E, GLU132F, GLU148E, GLU148F, GLU190E, GLU190F, GLU195E, GLU195F, GLY133E, GLY133F, GLY134E, GLY134F, GLY150E, GLY150F, GLY160E, GLY160F, GLY186F, GLY206E, GLY206F, ILE135E, ILE135F, ILE152E, ILE152F, ILE187E, ILE187F, ILE204E, ILE204F, ILE221E, ILE221F, LEU136E, LEU136F, LEU144E, LEU144F, LEU161E, LEU161F, LEU202E, LEU202F, LEU203E, LEU203F, LEU211E, LEU211F, LEU224E, LEU224F, LEU225E, LEU225F, LEU226E, LEU226F, LYS145E, LYS145F, LYS196E, LYS196F, LYS212E, LYS212F, PHE170E, PHE170F, PRO116E, PRO116F, PRO139E, PRO139F, PRO201E, PRO201F, SER149E, SER149F, SER153E, SER153F, SER159E, SER159F, SER192E, SER192F, THR143E, THR143F, THR155E, THR155F, THR166E, THR166F, THR188E, THR188F, THR214E, THR214F, TRP162E, TRP162F, TYR220E, TYR220F, VAL138E, VAL138F, VAL140E, VAL140F, VAL156E, VAL156F, VAL194E, VAL194F, VAL199E, VAL199F, VAL222E, VAL222F