3PFN

crystal structure of human nad kinase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 265
  • Norm. En. per Res.: -3.6909
• 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	-216.7417	-24.239	-737.105	-978.0857	265	35	33	30511	4	20	30
A-C	0.0	0.0	-22.7172	-22.7172	15	2	1	903	0	0	6
A-D	0.0	22.1463	-97.4746	-75.3283	83	1	0	3915	0	14	17
B-C	-11.5227	21.814	-112.055	-101.7638	71	4	1	4227	0	14	19
B-D	0.0	0.0	-26.7621	-26.7621	14	2	1	1151	0	0	3
C-D	-176.4098	19.7667	-579.892	-736.5351	240	23	31	25363	0	19	28

Interface residues

• A-B: ALA232A, ALA232B, ALA233A, ALA233B, ALA326A, ALA326B, ALA328A, ALA328B, ALA329A, ALA329B, ALA330A, ALA330B, ALA331A, ALA331B, ALA333A, ALA333B, ALA342A, ALA342B, ALA362A, ALA362B, ALA422A, ALA422B, ALA78A, ALA78B, ALA94A, ALA94B, ARG237A, ARG237B, ARG239A, ARG239B, ARG356A, ARG356B, ARG411A, ARG411B, ARG97A, ARG97B, ASN101A, ASN101B, ASN173A, ASN173B, ASN231A, ASN231B, ASN339A, ASN339B, ASN83A, ASN83B, ASP176A, ASP176B, ASP304A, ASP304B, ASP412A, ASP412B, ASP416A, ASP416B, ASP92A, ASP92B, CYS402A, CYS402B, CYS424A, CYS424B, CYS69B, CYS79A, CYS79B, GLN174A, GLN174B, GLN423A, GLN423B, GLN82A, GLN82B, GLN85A, GLN85B, GLN91A, GLN91B, GLN96A, GLN96B, GLU365B, GLU419A, GLU419B, GLY196A, GLY196B, GLY305B, GLY323A, GLY323B, GLY332A, GLY332B, GLY363A, GLY363B, GLY75A, GLY75B, HIS306A, HIS306B, HIS337A, HIS337B, HIS426A, HIS426B, HIS427A, HIS427B, HIS89A, HIS89B, ILE135A, ILE171A, ILE171B, ILE175A, ILE175B, ILE178A, ILE178B, ILE308A, ILE308B, ILE336A, ILE336B, ILE343A, ILE343B, ILE345A, ILE345B, ILE358A, ILE358B, ILE408A, ILE408B, ILE87A, ILE87B, ILE90A, ILE90B, LEU236A, LEU236B, LEU303A, LEU303B, LEU307A, LEU307B, LEU366B, LEU405A, LEU405B, LEU421A, LEU421B, LEU425A, LEU425B, LEU81A, LEU81B, LEU98A, LEU98B, LYS102A, LYS102B, LYS105A, LYS105B, LYS77A, LYS77B, PHE177A, PHE177B, PHE194A, PHE194B, PHE211A, PHE211B, PHE355A, PHE355B, PHE418A, PHE418B, PHE74A, PHE74B, PRO104A, PRO104B, PRO199A, PRO199B, PRO200A, PRO200B, PRO321A, PRO321B, PRO338A, PRO338B, PRO341A, PRO341B, PRO347A, PRO347B, PRO350A, PRO350B, PRO357A, PRO357B, PRO361A, PRO361B, PRO404A, PRO404B, PRO406A, PRO406B, PRO413A, PRO413B, PRO70B, PRO76A, PRO76B, PRO84A, PRO93A, PRO93B, SER103A, SER103B, SER106A, SER106B, SER172A, SER172B, SER197A, SER197B, SER238A, SER319B, SER324A, SER324B, SER334A, SER334B, SER352A, SER352B, SER354A, SER354B, SER401A, SER415A, SER415B, SER420A, SER420B, SER95A, SER95B, THR309A, THR309B, THR310A, THR310B, THR325A, THR325B, THR346A, THR346B, THR400A, THR72A, THR72B, THR73A, THR73B, THR86A, THR86B, THR99A, THR99B, TRP100A, TRP100B, TRP417A, TRP417B, TYR302B, TYR327A, TYR327B, TYR403A, TYR403B, VAL198A, VAL198B, VAL201A, VAL201B, VAL234A, VAL234B, VAL235A, VAL235B, VAL301A, VAL301B, VAL311A, VAL311B, VAL340A, VAL340B, VAL359A, VAL359B, VAL360A, VAL360B, VAL364A, VAL364B, VAL414A, VAL414B, VAL71B, VAL80A, VAL80B
• A-C: ARG356A, ARG356C, HIS351A, HIS351C, HIS427A, HIS427C, LEU353A, LEU353C, PHE355A, PHE355C, PRO357A, SER352A, SER352C, SER354A, SER354C
• A-D: ALA326A, ALA326D, ALA328A, ALA328D, ALA329A, ALA329D, ALA330A, ALA330D, ALA331A, ALA331D, ALA333A, ARG114A, ARG290A, ARG290D, ARG375D, ARG385A, ARG385D, ARG387A, ARG387D, ASP184A, ASP289A, ASP289D, ASP314A, ASP314D, ASP383A, ASP383D, CYS349A, CYS349D, CYS424A, GLN312A, GLN312D, GLY185A, GLY291A, GLY291D, GLY313A, GLY313D, GLY315A, GLY315D, GLY332A, GLY332D, GLY384A, GLY384D, HIS351A, HIS351D, ILE317A, ILE317D, ILE348A, ILE348D, LEU188A, LEU188D, LEU353A, LEU353D, LYS386A, LYS386D, PHE382A, PHE382D, PRO292A, PRO292D, PRO347A, PRO347D, PRO350A, PRO350D, SER293A, SER293D, SER294A, SER294D, SER324A, SER352A, SER352D, SER381A, SER381D, THR325A, THR325D, THR346A, THR346D, TRP379A, TRP379D, TYR295A, TYR295D, TYR327A, TYR327D, VAL287A, VAL287D
• B-C: ALA326B, ALA326C, ALA328B, ALA328C, ALA329B, ALA329C, ALA330B, ALA330C, ALA331B, ALA331C, ALA333B, ALA333C, ARG114B, ARG290B, ARG290C, ARG375C, ARG385B, ARG387B, ARG387C, ASN284B, ASP289B, ASP289C, ASP314B, ASP314C, ASP383B, CYS349B, CYS349C, CYS424B, CYS424C, GLN312B, GLN312C, GLN388C, GLU285B, GLY291B, GLY291C, GLY313B, GLY313C, GLY332B, GLY332C, GLY384B, GLY384C, HIS351B, HIS351C, ILE317B, ILE317C, ILE348B, ILE348C, LEU188B, LEU353B, LEU353C, PHE382B, PRO292B, PRO292C, PRO347B, PRO347C, PRO350B, PRO350C, SER352B, SER352C, SER381B, SER381C, THR325B, THR325C, TRP379B, TRP379C, TYR295C, TYR327B, TYR327C, VAL286B, VAL287B, VAL287C
• B-D: ARG356B, ARG356D, HIS351B, HIS351D, LEU353B, LEU353D, PHE355B, PHE355D, PRO357B, PRO357D, SER352B, SER352D, SER354B, SER354D
• C-D: ALA232C, ALA232D, ALA233C, ALA326C, ALA328C, ALA329C, ALA329D, ALA330C, ALA331C, ALA333C, ALA333D, ALA342C, ALA342D, ALA362C, ALA362D, ALA422C, ALA422D, ALA78C, ALA78D, ALA94C, ALA94D, ARG237C, ARG237D, ARG239C, ARG239D, ARG356C, ARG356D, ARG411C, ARG411D, ARG97C, ARG97D, ASN101C, ASN101D, ASN173C, ASN173D, ASN231C, ASN339C, ASN339D, ASP176C, ASP176D, ASP304C, ASP304D, ASP412C, ASP412D, ASP416C, ASP416D, ASP92C, ASP92D, CYS402C, CYS402D, CYS424C, CYS424D, CYS69D, CYS79C, CYS79D, GLN174C, GLN174D, GLN423C, GLN91C, GLN91D, GLN96C, GLN96D, GLU365C, GLU365D, GLU419C, GLU419D, GLY196C, GLY196D, GLY323C, GLY332C, GLY332D, GLY363C, GLY363D, GLY75C, GLY75D, HIS306C, HIS306D, HIS337C, HIS337D, HIS426C, HIS427C, HIS89C, HIS89D, ILE171C, ILE171D, ILE175C, ILE175D, ILE178C, ILE178D, ILE308C, ILE308D, ILE336C, ILE336D, ILE343C, ILE343D, ILE345C, ILE345D, ILE358C, ILE358D, ILE408C, ILE408D, ILE87C, ILE87D, ILE90C, LEU236C, LEU236D, LEU303C, LEU303D, LEU307C, LEU307D, LEU353C, LEU405C, LEU405D, LEU421C, LEU421D, LEU425C, LEU425D, LEU81C, LEU81D, LEU98C, LEU98D, LYS102C, LYS102D, LYS105C, LYS105D, LYS77C, LYS77D, PHE177C, PHE177D, PHE194C, PHE194D, PHE211C, PHE355C, PHE355D, PHE418C, PHE418D, PHE74C, PHE74D, PRO104C, PRO104D, PRO199C, PRO199D, PRO200C, PRO200D, PRO321C, PRO321D, PRO338C, PRO338D, PRO341C, PRO341D, PRO347C, PRO347D, PRO350C, PRO350D, PRO357C, PRO357D, PRO361C, PRO361D, PRO404C, PRO404D, PRO406C, PRO406D, PRO413C, PRO413D, PRO70D, PRO76C, PRO76D, PRO93C, PRO93D, SER103C, SER103D, SER106C, SER106D, SER172C, SER172D, SER197C, SER197D, SER238C, SER324C, SER324D, SER334C, SER334D, SER352C, SER352D, SER354C, SER354D, SER401C, SER415C, SER415D, SER420C, SER95C, SER95D, THR309C, THR309D, THR310C, THR310D, THR325C, THR325D, THR346C, THR346D, THR400C, THR72C, THR72D, THR73C, THR73D, THR86C, THR86D, THR99C, THR99D, TRP100C, TRP100D, TRP417C, TRP417D, TYR302D, TYR327C, TYR403C, TYR403D, VAL198C, VAL198D, VAL201C, VAL201D, VAL234C, VAL234D, VAL235C, VAL301D, VAL311C, VAL311D, VAL340C, VAL340D, VAL359C, VAL359D, VAL360C, VAL360D, VAL364C, VAL364D, VAL414C, VAL414D, VAL71D, VAL80C, VAL80D