2AWN

crystal structure of the adp-mg-bound e. coli malk (crystallized with atp-mg)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 166
  • Norm. En. per Res.: -2.1038
• 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	-26.9721	-38.2434	-284.022	-349.2375	166	18	3	13482	7	71	57
A-C	-20.2811	-3.0411	-47.5765	-70.8987	46	3	0	2056	4	13	20
B-C	0.0	10.5331	-1.9927	8.5404	16	0	0	230	0	1	3
B-D	0.0	0.0	-10.1674	-10.1674	20	2	0	574	0	4	10
C-D	-10.4681	-28.0017	-268.739	-307.2088	162	11	2	12695	7	70	54

Interface residues

• A-B: ALA166A, ALA166B, ALA167A, ALA167B, ALA197A, ALA197B, ARG169A, ARG169B, ARG173A, ARG173B, ARG178A, ARG178B, ARG182A, ARG286A, ARG286B, ARG330A, ARG330B, ARG351A, ARG351B, ASN163A, ASN163B, ASN312A, ASN312B, ASN326A, ASN326B, ASN332A, ASN332B, ASP165A, ASP165B, ASP193A, ASP193B, ASP333A, ASP333B, CYS40A, CYS40B, GLN171A, GLN171B, GLN194A, GLN194B, GLN305A, GLN305B, GLN309A, GLN309B, GLN315A, GLN315B, GLN319B, GLN325A, GLN325B, GLN331A, GLN331B, GLN82B, GLU159A, GLU159B, GLU196A, GLU196B, GLU288A, GLU288B, GLU308A, GLU308B, GLU313A, GLU313B, GLU338B, GLU339A, GLU339B, GLU368A, GLU368B, GLY136B, GLY137B, GLY232A, GLY232B, GLY235A, GLY235B, GLY311A, GLY311B, GLY340B, GLY36A, GLY36B, GLY370A, GLY370B, GLY39A, GLY39B, HIS192A, HIS192B, HIS223A, HIS223B, HIS289A, HIS289B, HIS317A, HIS317B, ILE174A, ILE174B, ILE204B, ILE234A, ILE234B, LEU161A, LEU164A, LEU164B, LEU168A, LEU168B, LEU200A, LEU200B, LEU219A, LEU219B, LEU310A, LEU310B, LEU336A, LEU336B, LYS181A, LYS181B, LYS217A, LYS217B, LYS238A, LYS238B, LYS42A, LYS42B, MET198A, MET198B, PHE233A, PHE233B, PRO218A, PRO218B, PRO237A, PRO237B, PRO287A, PRO287B, PRO369A, PRO369B, PRO37A, PRO37B, SER135B, SER162A, SER162B, SER177A, SER177B, SER236A, SER236B, SER38A, SER38B, SER83B, THR191A, THR191B, THR199A, THR199B, THR314A, THR314B, TYR222A, TYR222B, VAL170A, VAL170B, VAL195A, VAL195B, VAL304B, VAL306A, VAL306B, VAL307A, VAL307B, VAL328A, VAL328B, VAL334A, VAL334B, VAL335A, VAL335B, VAL337B, VAL35A, VAL371A, VAL371B
• A-C: ALA279C, ARG113A, ARG182A, ARG185A, ARG211C, ARG228C, ARG324C, ARG356C, ASN111A, ASN115A, ASN280C, ASP208C, ASP227C, ASP358C, GLN112A, GLN116A, GLN325C, GLU108A, GLU119A, GLU151A, GLU28A, GLU357C, GLY278C, GLY359C, ILE110A, ILE323C, LEU183A, LEU242C, LYS181A, LYS245C, MET281C, PHE229C, PHE241C, PHE355C, PRO243C, PRO259C, PRO261C, SER282C, SER322C, THR360C, VAL109A, VAL114A, VAL117A, VAL120A, VAL149A, VAL244C
• B-C: GLN305B, GLN305C, GLN319B, GLN319C, GLU303B, GLU303C, GLU339C, GLY340B, GLY340C, ILE320B, ILE323B, PRO261B, PRO321B, PRO321C, SER322B, THR342C
• B-D: ARG182D, ARG185D, ARG263B, ARG324B, ASN280B, GLN325B, GLU151D, GLU28D, GLU357B, GLY184D, GLY29D, HIS180D, ILE323B, LEU183D, LYS181D, LYS245B, MET260B, PRO243B, PRO259B, PRO261B
• C-D: ALA166C, ALA166D, ALA167C, ALA167D, ALA197C, ALA197D, ARG169C, ARG169D, ARG173C, ARG173D, ARG178C, ARG178D, ARG182C, ARG182D, ARG286C, ARG286D, ARG330C, ARG330D, ARG351C, ARG351D, ASN163C, ASN163D, ASN312C, ASN312D, ASN326C, ASN326D, ASN332C, ASN332D, ASP165C, ASP165D, ASP193C, ASP193D, ASP333C, ASP333D, CYS40D, GLN171C, GLN171D, GLN194C, GLN194D, GLN305C, GLN305D, GLN309C, GLN309D, GLN315C, GLN315D, GLN319C, GLN319D, GLN325C, GLN325D, GLN331C, GLN331D, GLU159C, GLU159D, GLU175D, GLU196C, GLU196D, GLU288C, GLU288D, GLU308C, GLU308D, GLU313C, GLU313D, GLU338D, GLU339C, GLU339D, GLU368C, GLU368D, GLY136C, GLY232C, GLY232D, GLY235C, GLY235D, GLY311C, GLY311D, GLY36C, GLY36D, GLY370C, GLY370D, GLY39C, GLY39D, HIS192C, HIS192D, HIS223C, HIS223D, HIS289C, HIS289D, HIS317C, HIS317D, ILE174C, ILE174D, ILE204D, ILE234C, ILE234D, ILE318C, LEU164C, LEU164D, LEU168C, LEU168D, LEU200C, LEU200D, LEU219C, LEU219D, LEU310C, LEU310D, LEU327C, LEU336C, LEU336D, LYS181C, LYS181D, LYS217C, LYS217D, LYS238C, LYS238D, LYS367D, LYS42C, LYS42D, MET198C, MET198D, PHE233C, PHE233D, PRO218C, PRO218D, PRO237C, PRO237D, PRO287C, PRO287D, PRO369C, PRO369D, PRO37C, PRO37D, SER162C, SER162D, SER177C, SER177D, SER236C, SER236D, SER38C, SER38D, THR191C, THR191D, THR199C, THR199D, THR314C, THR314D, TYR222C, TYR222D, VAL170C, VAL170D, VAL195C, VAL195D, VAL306C, VAL306D, VAL307C, VAL307D, VAL328C, VAL328D, VAL334C, VAL334D, VAL335C, VAL335D, VAL371C, VAL371D