2CCI

crystal structure of phospho-cdk2 cyclin a in complex with a peptide containing both the substrate and recruitment sites of cdc6

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 65
  • Norm. En. per Res.: -5.0142
• 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	-92.4766	-106.9824	-427.373	-626.832	152	24	10	17279	9	63	46
A-F	-6.1244	-4.6042	-87.9308	-98.6594	44	2	0	3829	0	25	21
B-C	-23.8534	-10.4667	-69.6958	-104.016	36	4	1	3292	1	13	23
B-F	-46.6772	-70.1768	-209.069	-325.9231	65	7	4	7653	5	29	7
C-D	-93.3243	-108.6375	-400.025	-601.9868	149	33	9	16809	7	63	42
C-I	0.0	-2.3235	-59.4197	-61.7432	35	2	0	2827	0	11	9
D-I	-2.2446	-47.3887	-156.267	-205.9003	57	10	4	6177	3	21	5

Interface residues

• A-B: ALA116A, ALA149A, ALA151A, ALA183A, ALA264B, ALA276B, ALA277A, ALA279A, ALA280A, ALA307B, ALA308B, ALA48A, ARG122A, ARG126A, ARG150A, ARG157A, ARG241B, ARG274A, ARG293B, ARG50A, ASN229B, ASN272A, ASN312B, ASN59A, ASN74A, ASP177B, ASP181B, ASP305B, ASP38A, CYS118A, CYS193B, GLN113A, GLN228B, GLN313B, GLN317B, GLU162A, GLU180B, GLU188B, GLU190B, GLU230B, GLU268B, GLU269B, GLU274B, GLU277B, GLU295B, GLU40A, GLU42A, GLU51A, GLU57A, GLU73A, GLY153A, GLY43A, HIS119A, HIS121A, HIS161A, HIS179B, HIS183B, HIS296B, HIS321B, HIS71A, ILE182B, ILE186A, ILE270B, ILE275A, ILE35A, ILE49A, ILE52A, ILE70A, LEU112A, LEU115A, LEU124A, LEU186B, LEU227B, LEU234B, LEU262B, LEU263B, LEU281A, LEU292B, LEU297B, LEU299B, LEU302B, LEU306B, LEU315B, LEU320B, LEU37A, LEU54A, LEU55A, LEU58A, LEU66A, LEU76A, LEU78A, LYS192B, LYS266B, LYS273A, LYS278A, LYS288B, LYS289B, LYS300B, LYS379B, LYS56A, LYS75A, MET189B, MET294B, PHE117A, PHE152A, PHE267B, PHE278B, PHE304B, PHE314B, PHE319B, PRO155A, PRO176B, PRO271A, PRO272B, PRO273B, PRO309B, PRO45A, SER120A, SER181A, SER265B, SER276A, SER46A, SER53A, THR158A, THR182A, THR184B, THR231B, THR303B, THR310B, THR316B, THR39A, THR41A, THR47A, THR72A, TYR159A, TYR178B, TYR180A, TYR185B, TYR238B, TYR271B, TYR318B, VAL123A, VAL154A, VAL156A, VAL163A, VAL175B, VAL275B, VAL291B, VAL298B, VAL301B, VAL44A, VAL69A
• A-F: ALA201A, ALA69F, ARG126A, ARG150A, ARG169A, ARG50A, ARG72F, ASN132A, ASP127A, ASP145A, ASP206A, GLN131A, GLU12A, GLU162A, GLU208A, GLY13A, GLY147A, GLY205A, HIS125A, HIS161A, HIS67F, HIS68F, ILE173A, LEU128A, LEU148A, LEU166A, LYS129A, LYS33A, LYS73F, LYS88A, PRO204A, PRO71F, SER207A, SER46A, SER70F, THR14A, THR165A, THR47A, TRP167A, TYR159A, TYR15A, TYR168A, VAL163A, VAL164A
• B-C: ALA21C, ARG22C, ARG410B, ASN415B, ASN425B, GLN5C, GLN85C, GLU12C, GLU411B, GLU8C, GLY11C, GLY420B, HIS419B, HIS84C, ILE10C, LEU423B, LEU424B, LYS20C, LYS24C, LYS328B, LYS34C, LYS412B, LYS414B, LYS417B, LYS6C, LYS89C, LYS9C, PHE82C, SER416B, SER422B, TYR19C, TYR413B, TYR418B, VAL17C, VAL421B, VAL7C
• B-F: ALA212B, ALA276B, ARG211B, ARG250B, ARG90F, ARG91F, ASN208B, ASN96F, ASP205B, ASP216B, ASP283B, ASP284B, ASP95F, GLN254B, GLN406B, GLU220B, GLU223B, GLU224B, GLU268B, GLU269B, GLU277B, GLY222B, GLY251B, GLY257B, GLY89F, HIS85F, ILE206B, ILE213B, ILE270B, ILE281B, LEU214B, LEU218B, LEU249B, LEU253B, LEU255B, LEU87F, LEU92F, LYS226B, LYS252B, LYS266B, LYS73F, LYS88F, MET210B, PHE267B, PHE94F, PRO272B, PRO273B, SER209B, SER265B, SER408B, THR207B, THR258B, THR282B, THR285B, THR86F, TRP217B, TYR225B, TYR271B, TYR280B, TYR286B, VAL215B, VAL219B, VAL221B, VAL279B, VAL93F
• C-D: ALA116C, ALA149C, ALA151C, ALA183C, ALA264D, ALA276D, ALA277C, ALA279C, ALA280C, ALA307D, ALA308D, ALA48C, ARG122C, ARG126C, ARG150C, ARG157C, ARG241D, ARG274C, ARG293D, ARG50C, ASN229D, ASN272C, ASN312D, ASN59C, ASN74C, ASP177D, ASP181D, ASP305D, ASP38C, CYS118C, CYS193D, GLN228D, GLN313D, GLN317D, GLU162C, GLU180D, GLU188D, GLU230D, GLU268D, GLU269D, GLU274D, GLU277D, GLU295D, GLU40C, GLU42C, GLU51C, GLU57C, GLU73C, GLY153C, GLY43C, HIS119C, HIS121C, HIS161C, HIS179D, HIS183D, HIS296D, HIS71C, ILE182D, ILE186C, ILE270D, ILE275C, ILE35C, ILE49C, ILE52C, ILE70C, LEU112C, LEU115C, LEU124C, LEU186D, LEU227D, LEU234D, LEU262D, LEU263D, LEU281C, LEU292D, LEU297D, LEU299D, LEU302D, LEU306D, LEU315D, LEU320D, LEU37C, LEU54C, LEU58C, LEU66C, LEU76C, LEU78C, LYS178C, LYS192D, LYS266D, LYS273C, LYS278C, LYS288D, LYS289D, LYS300D, LYS379D, LYS56C, LYS75C, MET189D, MET294D, PHE117C, PHE152C, PHE267D, PHE278D, PHE304D, PHE314D, PHE319D, PRO155C, PRO176D, PRO271C, PRO272D, PRO273D, PRO309D, PRO45C, SER120C, SER181C, SER265D, SER276C, SER46C, SER53C, THR158C, THR182C, THR184D, THR231D, THR303D, THR310D, THR316D, THR39C, THR41C, THR47C, THR72C, TYR159C, TYR178D, TYR180C, TYR185D, TYR238D, TYR271D, TYR318D, VAL123C, VAL154C, VAL156C, VAL163C, VAL175D, VAL275D, VAL291D, VAL298D, VAL301D, VAL44C, VAL69C
• C-I: ALA149C, ALA69I, ARG126C, ARG150C, ARG169C, ARG50C, ARG72I, ASN132C, ASP127C, ASP145C, GLN131C, GLU162C, GLY13C, GLY147C, GLY16C, HIS161C, ILE173C, ILE35C, LEU148C, LEU166C, LYS129C, LYS73I, PRO45C, PRO71I, SER46C, SER70I, THR14C, THR165C, THR47C, TRP167C, TYR159C, TYR15C, TYR168C, VAL163C, VAL164C
• D-I: ALA212D, ARG211D, ARG250D, ARG90I, ARG91I, ASP205D, ASP216D, ASP283D, ASP284D, GLN254D, GLN406D, GLU220D, GLU223D, GLU224D, GLU268D, GLU269D, GLY222D, GLY251D, GLY257D, GLY89I, ILE206D, ILE213D, ILE270D, ILE281D, LEU214D, LEU218D, LEU249D, LEU253D, LEU255D, LEU87I, LEU92I, LYS252D, LYS266D, LYS73I, LYS88I, MET210D, PHE267D, PHE94I, PRO272D, SER209D, SER265D, SER408D, THR207D, THR258D, THR282D, THR285D, THR86I, TRP217D, TYR225D, TYR271D, TYR280D, TYR286D, VAL215D, VAL219D, VAL221D, VAL279D, VAL93I