3RE3

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

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 106
  • Norm. En. per Res.: -3.1975
• 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-C	-32.4031	-0.8108	-139.135	-172.3489	71	7	7	6756	0	10	12
A-D	0.0	32.3384	-11.4701	20.8683	6	2	0	269	0	4	6
B-C	-81.9999	10.747	-267.684	-338.9369	106	16	9	11495	1	27	30
B-D	-52.6233	15.505	-277.628	-314.7463	102	12	9	11386	0	27	29
C-D	-59.818	11.8611	-282.419	-330.3759	108	13	9	11577	0	26	31

Interface residues

• A-C: ALA103A, ALA105A, ALA117A, ALA134A, ALA150A, ALA17A, ALA17C, ALA29C, ALA46A, ARG116A, ARG139A, ARG145A, ASN20C, ASN73A, ASP39A, ASP41A, ASP75A, CYS118A, GLN104A, GLN19C, GLU113A, GLU146A, GLU147A, GLU27C, GLY148A, GLY24C, GLY25C, GLY33C, GLY40A, HIS111A, HIS12A, HIS31A, HIS31C, HIS45A, ILE101A, ILE102A, ILE112A, ILE122A, ILE132A, ILE149A, ILE21C, ILE22C, ILE23C, ILE28C, ILE44A, ILE74A, LEU109A, LEU119A, LEU32C, LEU34C, LEU43A, LEU47A, LEU80A, LYS107A, LYS114A, LYS13A, LYS13C, LYS18A, LYS18C, LYS77A, PHE14A, PRO106A, PRO110A, SER16A, SER16C, SER76A, THR151A, THR15A, TYR30C, VAL26C, VAL42A
• A-D: ARG139A, ARG139D, GLN104A, GLN104D, GLU146A, GLU146D
• B-C: ALA103C, ALA134C, ALA150B, ALA150C, ALA46B, ALA50B, ALA50C, ALA54B, ARG116C, ARG139C, ARG145B, ARG145C, ARG4B, ARG4C, ASN131C, ASN96C, ASP10B, ASP39B, ASP49B, ASP59B, ASP98C, CYS155B, CYS155C, CYS48B, CYS99C, GLN104C, GLN126C, GLN129C, GLU113C, GLU138C, GLU146B, GLU147B, GLY141B, GLY141C, GLY144C, GLY148B, GLY40B, GLY53B, GLY56B, GLY58B, GLY61B, GLY6B, GLY6C, GLY8B, HIS12B, HIS152B, HIS152C, HIS45B, HIS63B, HIS7B, HIS7C, ILE101C, ILE102C, ILE112C, ILE125C, ILE127C, ILE130C, ILE132C, ILE143B, ILE143C, ILE149B, ILE51B, ILE5B, ILE5C, ILE60B, ILE94C, ILE97C, LEU109C, LEU140C, LEU156B, LEU156C, LEU157B, LEU157C, LEU52B, LEU55B, LEU57B, LYS133C, LYS13B, LYS62B, LYS90B, PHE142B, PHE142C, PHE14B, PHE3B, PHE3C, SER128C, SER2B, SER95C, THR100C, THR135C, THR136C, THR137C, THR151B, THR151C, THR15B, TYR158B, TYR158C, TYR92B, TYR9B, TYR9C, VAL11B, VAL153B, VAL153C, VAL154B, VAL154C, VAL42B
• B-D: ALA103B, ALA134B, ALA150B, ALA150D, ALA46D, ALA50B, ALA50D, ALA54D, ARG116B, ARG139B, ARG145B, ARG145D, ARG4B, ARG4D, ASN131B, ASN96B, ASP10D, ASP49D, ASP59D, ASP98B, CYS155B, CYS155D, CYS48D, CYS99B, GLN126B, GLN129B, GLU113B, GLU138B, GLU146D, GLU147D, GLY141B, GLY141D, GLY144B, GLY148D, GLY40D, GLY53D, GLY56D, GLY58D, GLY61D, GLY6B, GLY6D, GLY8D, HIS12D, HIS152B, HIS152D, HIS45D, HIS63D, HIS7B, HIS7D, ILE101B, ILE102B, ILE112B, ILE125B, ILE127B, ILE130B, ILE132B, ILE143B, ILE143D, ILE149D, ILE51D, ILE5B, ILE5D, ILE60D, ILE94B, ILE97B, LEU109B, LEU140B, LEU156B, LEU156D, LEU157B, LEU157D, LEU52D, LEU55D, LEU57D, LYS133B, LYS13D, LYS62D, PHE142B, PHE142D, PHE14D, PHE3B, PHE3D, SER128B, SER2D, SER95B, THR100B, THR135B, THR136B, THR137B, THR151B, THR151D, THR15D, TYR158B, TYR92D, TYR9B, TYR9D, VAL11D, VAL153B, VAL153D, VAL154B, VAL154D, VAL42D
• C-D: ALA103D, ALA134D, ALA150C, ALA150D, ALA46C, ALA50C, ALA50D, ALA54C, ARG116D, ARG139D, ARG145C, ARG145D, ARG159C, ARG4C, ARG4D, ASN131D, ASN96D, ASP10C, ASP39C, ASP49C, ASP59C, ASP98D, CYS155C, CYS155D, CYS48C, CYS99D, GLN126D, GLN129D, GLU113D, GLU138D, GLU146C, GLU147C, GLY141C, GLY141D, GLY144D, GLY148C, GLY33C, GLY40C, GLY53C, GLY56C, GLY58C, GLY61C, GLY6C, GLY6D, GLY8C, HIS12C, HIS152C, HIS152D, HIS45C, HIS7C, HIS7D, ILE101D, ILE102D, ILE112D, ILE125D, ILE127D, ILE130D, ILE132D, ILE143C, ILE143D, ILE149C, ILE51C, ILE5C, ILE5D, ILE60C, ILE94D, ILE97D, LEU109D, LEU140D, LEU156C, LEU156D, LEU157C, LEU157D, LEU34C, LEU47C, LEU52C, LEU55C, LEU57C, LYS133D, LYS13C, LYS62C, LYS90C, PHE142C, PHE142D, PHE14C, PHE3C, PHE3D, PHE64C, SER128D, SER2C, SER95D, THR100D, THR135D, THR136D, THR137D, THR151C, THR151D, THR15C, TYR158D, TYR92C, TYR9C, TYR9D, VAL11C, VAL153C, VAL153D, VAL154C, VAL154D, VAL42C