1Q12

crystal structure of the atp-bound e. coli malk

• Total interactions analyzed: 6
• Total true interactions: 2
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 213
  • Norm. En. per Res.: -1.9018
• 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	-59.6297	5.8215	-346.547	-400.3552	213	15	4	16176	7	67	64
C-D	-62.4006	4.8967	-347.584	-405.0878	213	15	4	16192	7	67	64

Interface residues

• A-B: ALA133A, ALA133B, ALA166A, ALA166B, ALA167A, ALA167B, ALA197A, ALA197B, ARG129A, ARG129B, ARG139A, ARG139B, ARG141A, ARG141B, ARG169A, ARG169B, ARG173A, ARG173B, ARG178A, ARG178B, ARG286A, ARG286B, ARG330A, ARG330B, ARG351A, ARG351B, ARG364B, ARG47A, ARG47B, ASN163A, ASN163B, ASN312A, ASN312B, ASN326A, ASN326B, ASN332A, ASN332B, ASP158A, ASP158B, ASP165A, ASP165B, ASP193A, ASP193B, ASP333A, ASP333B, CYS40A, CYS40B, GLN122A, GLN122B, GLN138A, GLN138B, GLN140A, GLN140B, GLN171A, GLN171B, GLN194A, GLN194B, GLN309A, GLN309B, GLN315A, GLN315B, GLN325B, GLN331A, GLN331B, GLN82A, GLN82B, GLU159A, GLU159B, GLU15B, GLU196A, GLU196B, GLU288A, GLU288B, GLU308A, GLU308B, GLU313A, GLU313B, GLU339A, GLU368A, GLU368B, GLU53A, GLY136A, GLY136B, GLY137A, GLY137B, GLY232A, GLY232B, GLY235A, GLY235B, GLY311A, GLY311B, GLY36A, GLY36B, GLY370A, GLY370B, GLY39A, GLY39B, GLY41A, GLY41B, HIS125A, HIS125B, HIS192A, HIS192B, HIS223A, HIS223B, HIS289A, HIS289B, HIS317A, HIS317B, ILE174A, ILE174B, ILE234A, ILE234B, LEU123A, LEU123B, LEU126A, LEU126B, LEU134A, LEU134B, LEU161A, LEU161B, LEU164A, LEU164B, LEU168A, LEU168B, LEU200A, LEU200B, LEU219A, LEU219B, LEU310A, LEU310B, LEU336A, LEU336B, LYS11A, LYS130B, LYS132A, LYS132B, LYS181B, LYS238A, LYS238B, LYS42A, LYS42B, MET172A, MET198A, MET198B, MET239A, MET239B, PHE229A, PHE229B, PHE233A, PHE233B, PHE81A, PRO218A, PRO218B, PRO237A, PRO237B, PRO287A, PRO287B, PRO369A, PRO369B, PRO37A, PRO37B, SER135A, SER135B, SER162A, SER162B, SER177A, SER236A, SER236B, SER38A, SER38B, SER43A, SER43B, SER83A, SER83B, THR191A, THR191B, THR199A, THR199B, THR314A, THR314B, THR44A, THR44B, TRP13A, TRP13B, TYR222A, TYR222B, TYR84A, TYR84B, VAL16A, VAL16B, VAL170A, VAL170B, VAL17A, VAL17B, VAL18A, VAL18B, VAL190A, VAL190B, VAL195A, VAL195B, VAL306A, VAL306B, VAL307A, VAL307B, VAL328A, VAL328B, VAL334A, VAL334B, VAL335A, VAL335B, VAL35A, VAL35B
• C-D: ALA133C, ALA133D, ALA166C, ALA166D, ALA167C, ALA167D, ALA197C, ALA197D, ARG129C, ARG129D, ARG139C, ARG139D, ARG141C, ARG141D, ARG169C, ARG169D, ARG173C, ARG173D, ARG178C, ARG178D, ARG286C, ARG286D, ARG330C, ARG330D, ARG351C, ARG351D, ARG364D, ARG47C, ARG47D, ASN163C, ASN163D, ASN312C, ASN312D, ASN326C, ASN326D, ASN332C, ASN332D, ASP158C, ASP158D, ASP165C, ASP165D, ASP193C, ASP193D, ASP333C, ASP333D, CYS40C, CYS40D, GLN122C, GLN122D, GLN138C, GLN138D, GLN140C, GLN140D, GLN171C, GLN171D, GLN194C, GLN194D, GLN309C, GLN309D, GLN315C, GLN315D, GLN325D, GLN331C, GLN331D, GLN82C, GLN82D, GLU159C, GLU159D, GLU15D, GLU196C, GLU196D, GLU288C, GLU288D, GLU308C, GLU308D, GLU313C, GLU313D, GLU339C, GLU368C, GLU368D, GLU53C, GLY136C, GLY136D, GLY137C, GLY137D, GLY232C, GLY232D, GLY235C, GLY235D, GLY311C, GLY311D, GLY36C, GLY36D, GLY370C, GLY370D, GLY39C, GLY39D, GLY41C, GLY41D, HIS125C, HIS125D, HIS192C, HIS192D, HIS223C, HIS223D, HIS289C, HIS289D, HIS317C, HIS317D, HIS366D, ILE174C, ILE174D, ILE234C, ILE234D, LEU123C, LEU123D, LEU126C, LEU126D, LEU134C, LEU134D, LEU161C, LEU161D, LEU164C, LEU164D, LEU168C, LEU168D, LEU200C, LEU200D, LEU219C, LEU219D, LEU310C, LEU310D, LEU336C, LEU336D, LYS11C, LYS130D, LYS132C, LYS132D, LYS181D, LYS238C, LYS238D, LYS42C, LYS42D, MET172C, MET198C, MET198D, MET239C, MET239D, PHE229C, PHE229D, PHE233C, PHE233D, PHE81C, PRO218C, PRO218D, PRO237C, PRO237D, PRO287C, PRO287D, PRO369C, PRO369D, PRO37C, PRO37D, SER135C, SER135D, SER162C, SER162D, SER236C, SER236D, SER38C, SER38D, SER43C, SER43D, SER83C, SER83D, THR191C, THR191D, THR199C, THR199D, THR314C, THR314D, THR44C, THR44D, TRP13C, TRP13D, TYR222C, TYR222D, TYR84C, TYR84D, VAL16C, VAL16D, VAL170C, VAL170D, VAL17C, VAL17D, VAL18C, VAL18D, VAL190C, VAL190D, VAL195C, VAL195D, VAL306C, VAL306D, VAL307C, VAL307D, VAL328C, VAL328D, VAL334C, VAL334D, VAL335C, VAL335D, VAL35C, VAL35D