1O57

crystal structure of the purine operon repressor of bacillus subtilis

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 50
  • Norm. En. per Res.: -2.8918
• Hub Node: A(1)

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	-40.0056	-43.7224	-392.094	-475.822	187	18	10	17621	1	37	37
B-C	-24.1453	-54.7618	-65.6811	-144.5882	50	4	7	3849	4	5	6
C-D	-37.6843	-51.912	-388.769	-478.3653	187	10	10	17702	2	33	37

Interface residues

• A-B: ALA138A, ALA138B, ALA145A, ALA145B, ALA147A, ALA147B, ALA148A, ALA148B, ALA149A, ALA149B, ALA189A, ALA189B, ARG160A, ARG160B, ARG191A, ARG191B, ARG32A, ARG32B, ARG4A, ARG4B, ARG5A, ARG5B, ARG8A, ARG8B, ARG96A, ARG96B, ASN14A, ASN14B, ASN153A, ASN153B, ASN93A, ASN93B, ASP107A, ASP107B, ASP11A, ASP11B, ASP162A, ASP43A, ASP43B, GLN49A, GLN49B, GLN53A, GLN53B, GLN54A, GLN54B, GLU42A, GLU52A, GLU52B, GLU95A, GLU95B, GLY110A, GLY110B, GLY141A, GLY141B, GLY168A, GLY168B, GLY55A, GLY55B, GLY57A, GLY7A, GLY7B, HIS19A, HIS19B, ILE108A, ILE108B, ILE142A, ILE142B, ILE158A, ILE158B, ILE46A, ILE46B, ILE47A, ILE47B, ILE56A, ILE56B, ILE97A, ILE97B, LEU105A, LEU105B, LEU109A, LEU109B, LEU115A, LEU115B, LEU12A, LEU12B, LEU144A, LEU144B, LEU152A, LEU152B, LEU16A, LEU16B, LEU17A, LEU17B, LEU188A, LEU188B, LEU44A, LEU44B, LEU59A, LEU59B, LEU98A, LEU98B, LEU9A, LEU9B, LYS111A, LYS111B, LYS117A, LYS117B, LYS120A, LYS120B, LYS140A, LYS140B, LYS161A, LYS161B, LYS190A, LYS190B, LYS2A, LYS2B, LYS48A, LYS48B, MET193A, MET193B, MET1B, PHE3A, PHE3B, PHE51A, PHE51B, PRO112A, PRO112B, PRO143A, PRO143B, PRO155A, PRO155B, PRO20A, PRO20B, PRO94A, PRO99A, PRO99B, SER113A, SER113B, SER116A, SER116B, SER150A, SER150B, SER192A, SER192B, SER6A, SER6B, THR106A, THR106B, THR139A, THR139B, THR13A, THR13B, THR18A, THR18B, THR45A, THR45B, THR50A, THR50B, TYR104A, TYR104B, TYR146A, TYR146B, TYR151A, TYR151B, TYR15A, TYR15B, TYR33A, TYR33B, TYR71A, TYR71B, VAL103A, VAL103B, VAL10A, VAL10B, VAL114A, VAL114B, VAL133A, VAL133B, VAL134A, VAL134B, VAL154A, VAL154B, VAL156A, VAL156B, VAL157A, VAL157B
• B-C: ALA127C, ALA65C, ALA66C, ARG129C, ARG182B, ARG241B, ASN174B, ASN181B, ASN198C, ASN213B, ASN217B, ASP220B, GLN184B, GLU128C, GLU130C, GLU221B, GLU22C, GLU240B, GLY209B, GLY210B, GLY214B, GLY64C, GLY67C, GLY68C, HIS21C, ILE131C, ILE173B, ILE183B, ILE216B, ILE24C, ILE72C, LEU218B, LEU23C, LEU242B, LEU59C, LEU60C, LYS48C, LYS70C, PRO63C, SER172B, SER179B, SER180B, THR185B, THR61C, TYR175B, TYR71C, VAL176B, VAL243B, VAL62C, VAL69C
• C-D: ALA138C, ALA138D, ALA145C, ALA145D, ALA147C, ALA147D, ALA148C, ALA148D, ALA149C, ALA149D, ALA189C, ALA189D, ARG160C, ARG160D, ARG191C, ARG191D, ARG32C, ARG32D, ARG4C, ARG4D, ARG5C, ARG5D, ARG8C, ARG8D, ARG96C, ARG96D, ASN14C, ASN14D, ASN153C, ASN153D, ASN93C, ASN93D, ASP107C, ASP107D, ASP11C, ASP11D, ASP43C, ASP43D, GLN49C, GLN49D, GLN53C, GLN53D, GLN54C, GLN54D, GLU22D, GLU42C, GLU52C, GLU52D, GLU95C, GLU95D, GLY110C, GLY110D, GLY141C, GLY141D, GLY168C, GLY168D, GLY55C, GLY55D, GLY57D, GLY7C, GLY7D, HIS19C, HIS19D, ILE108C, ILE108D, ILE142C, ILE142D, ILE158C, ILE158D, ILE46C, ILE46D, ILE47C, ILE47D, ILE56C, ILE56D, ILE97C, ILE97D, LEU105C, LEU105D, LEU109C, LEU109D, LEU115C, LEU115D, LEU12C, LEU12D, LEU144C, LEU144D, LEU152C, LEU152D, LEU16C, LEU16D, LEU17C, LEU17D, LEU188C, LEU188D, LEU44C, LEU44D, LEU59C, LEU59D, LEU98C, LEU98D, LEU9C, LEU9D, LYS111C, LYS111D, LYS117C, LYS117D, LYS120C, LYS120D, LYS140C, LYS140D, LYS161C, LYS161D, LYS190C, LYS190D, LYS2C, LYS2D, LYS48C, LYS48D, MET193C, MET193D, MET1C, MET257C, PHE3C, PHE3D, PHE51C, PHE51D, PRO112C, PRO112D, PRO143C, PRO143D, PRO155C, PRO155D, PRO20C, PRO20D, PRO94C, PRO99C, PRO99D, SER113C, SER113D, SER116C, SER116D, SER150C, SER150D, SER192C, SER192D, SER6C, SER6D, THR106C, THR106D, THR139C, THR139D, THR13C, THR13D, THR18C, THR18D, THR45C, THR45D, THR50C, THR50D, TYR104C, TYR104D, TYR146C, TYR146D, TYR151C, TYR151D, TYR15C, TYR15D, TYR33C, TYR33D, TYR71C, TYR71D, VAL10C, VAL10D, VAL114C, VAL114D, VAL133C, VAL133D, VAL134C, VAL134D, VAL154C, VAL154D, VAL156C, VAL156D, VAL157C, VAL157D, VAL159C