2IAE

crystal structure of a protein phosphatase 2a (pp2a) holoenzyme.

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: D-F
  • Int. Res.: 98
  • Norm. En. per Res.: -4.8159
• Hub Node: B(4)

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	-5.8624	11.4433	-189.474	-183.8931	104	9	1	7835	3	64	33
A-C	-56.0747	-85.6801	-272.688	-414.4428	122	10	3	11014	13	65	55
A-D	-2.2635	14.7169	-67.8298	-55.3764	56	0	0	3601	3	19	25
B-C	-53.6732	-74.6805	-256.149	-384.5027	107	18	1	10090	2	54	39
B-D	0.0	-15.9481	-64.928	-80.8761	63	1	0	3768	1	28	23
B-E	0.0	1.1703	-41.799	-40.6287	30	7	0	2241	1	9	10
B-M	0.0	0.0	8.4006	8.4006	6	6	0	318	0	1	0
C-M	0.0	2.724	-26.3056	-23.5816	19	1	0	1245	0	4	4
D-E	-19.6931	-43.9885	-170.293	-233.9746	90	13	1	7208	5	60	29
D-F	-86.5154	-156.1347	-229.307	-471.9571	98	15	4	9684	11	52	40
E-F	-82.9661	-73.317	-203.89	-360.1731	79	22	0	7120	8	39	25
E-N	0.0	0.0	-3.891	-3.891	7	2	0	238	0	1	0
F-N	-30.192	4.7045	14.6356	-10.8519	15	3	0	728	0	2	4

Interface residues

• A-B: ALA296A, ARG105A, ARG105B, ARG144A, ARG182A, ARG183A, ARG210B, ARG221A, ARG258A, ARG260A, ARG28A, ARG329B, ASN205B, ASN206B, ASN219B, ASP106A, ASP139A, ASP172B, ASP176A, ASP177A, ASP215A, ASP218A, ASP24A, ASP254A, ASP61A, ASP63A, CYS294A, GLN161B, GLN166B, GLN203B, GLN217A, GLU100A, GLU101A, GLU169B, GLU214B, GLU216A, GLU216B, GLU23A, GLU242B, GLU295A, GLU297A, GLU62A, HIS217B, HIS340A, ILE207B, ILE212B, ILE245B, ILE59A, LEU107B, LEU165B, LEU222A, LEU223A, LEU248B, LEU290B, LYS162B, LYS202B, LYS249B, LYS255A, LYS256B, LYS291B, LYS295B, LYS333B, MET180A, MET287B, PHE104B, PHE141A, PHE208B, PHE211B, PRO108B, PRO109B, PRO113B, PRO179A, PRO253B, PRO59B, SER110B, SER111B, SER143A, SER219A, SER256A, SER57B, THR102A, THR106B, THR142A, THR145A, THR178A, THR215B, TRP140A, TRP257A, TRP293B, TYR199B, TYR209B, TYR213B, TYR261A, TYR292B, TYR60A, VAL103A, VAL104A, VAL220A, VAL250B, VAL259A, VAL25A, VAL298A, VAL56B, VAL99A
• A-C: ALA292C, ALA415A, ALA457A, ALA461A, ALA534A, ARG106C, ARG108C, ARG110C, ARG183A, ARG302C, ARG303C, ARG418A, ARG420A, ARG459A, ARG498A, ARG49C, ARG537A, ARG70C, ASN494A, ASN535A, ASN539A, ASN79C, ASP11C, ASP279C, ASP280C, ASP290C, ASP306C, ASP453A, ASP492A, ASP531A, ASP572A, ASP574A, ASP63A, ASP77C, CYS50C, GLN26A, GLN272C, GLN288C, GLN571A, GLU101A, GLU109C, GLU277C, GLU297C, GLU379A, GLU460A, GLU581A, GLU62A, GLU64A, GLU67C, GLY138C, GLY72C, GLY73C, HIS340A, HIS454A, HIS497A, HIS63C, ILE111C, ILE275C, ILE38C, ILE458A, ILE71C, LEU222A, LEU223A, LEU278C, LEU282C, LEU287C, LEU29A, LEU382A, LEU421A, LEU496A, LEU67A, LEU68C, LYS283C, LYS416A, LYS4C, LYS542A, LYS74C, LYS8C, MET499A, MET66C, PHE286C, PHE289C, PHE308C, PHE503A, PHE538A, PHE578A, PHE69C, PRO291C, PRO293C, PRO305C, PRO378A, PRO493A, PRO51C, PRO532A, PRO76C, SER219A, SER285C, SER75C, THR102A, THR281C, THR304C, THR53C, THR584A, THR78C, THR7C, TRP417A, TYR107C, TYR284C, TYR307C, TYR456A, TYR495A, TYR577A, TYR80C, VAL103A, VAL104A, VAL25A, VAL455A, VAL52C, VAL533A, VAL536A, VAL573A, VAL575A
• A-D: ALA242A, ARG167A, ARG171A, ARG249A, ARG318D, ASN200A, ASN211A, ASN320D, ASN360D, ASP199A, ASP239A, ASP316D, ASP359D, CYS317D, CYS329D, GLN168A, GLN250A, GLN288D, GLN325D, GLU204A, GLU238A, GLU241A, GLU319D, GLU332D, GLU363D, HIS364D, ILE205A, ILE206A, ILE322D, ILE326D, LEU198A, LEU240A, LEU243A, LEU248A, LEU327D, LEU356D, LYS202A, LYS280D, LYS292D, LYS331D, MET208A, MET245A, MET323D, PHE209A, PRO207A, PRO246A, PRO285D, PRO328D, SER203A, SER210A, SER214A, THR247A, THR324D, VAL244A, VAL284D, VAL321D
• B-C: ALA116B, ALA140C, ALA343B, ARG121C, ARG135C, ARG210B, ARG268C, ARG294C, ARG302C, ARG303C, ARG89C, ASN112B, ASN139C, ASN141C, ASN264C, ASN383B, ASP119B, ASP123B, ASP131C, ASP306C, CYS133C, CYS266C, GLN122C, GLN125C, GLN187C, GLN341B, GLU117B, GLU121B, GLU122B, GLU124B, GLU132C, GLU188C, GLU214B, GLU216B, GLU297C, GLU301B, GLU344B, GLY115B, GLY128C, GLY138C, GLY296C, GLY90C, HIS191C, HIS217B, HIS255B, HIS297B, HIS299C, HIS339B, HIS381B, ILE123C, ILE386B, LEU134C, LEU254B, LEU260B, LEU290B, LYS136C, LYS144C, LYS256B, LYS258B, LYS291B, LYS295B, LYS300B, LYS384B, PHE118B, PHE304B, PHE308C, PHE340B, PRO113B, PRO120B, PRO253B, PRO294B, PRO298C, PRO299B, PRO305C, PRO338B, SER120C, SER259B, SER298B, SER337B, THR114B, THR124C, THR147C, THR215B, THR296B, THR304C, THR380B, THR385B, TRP143C, TRP293B, TRP382B, TYR127C, TYR130C, TYR137C, TYR213B, TYR263B, TYR265C, TYR267C, TYR292B, TYR307C, TYR91C, TYR92C, VAL126C, VAL189C, VAL257B, VAL300C, VAL302B, VAL342B
• B-D: ALA213D, ALA242D, ARG171D, ARG249D, ASN153B, ASN200D, ASN211D, ASP160B, ASP199D, ASP239D, ASP282D, CYS49B, GLN161B, GLN250D, GLN38B, GLU204D, GLU238D, GLU241D, GLU253D, GLU89B, GLU94B, HIS97B, ILE154B, ILE159B, ILE205D, ILE206D, ILE91B, LEU212D, LEU240D, LEU243D, LEU248D, LEU41B, LEU46B, LEU52B, LYS156B, LYS157B, LYS162B, LYS202D, LYS255D, LYS45B, MET208D, MET245D, MET98B, PHE163B, PHE209D, PHE42B, PHE53B, PRO207D, PRO246D, PRO90B, PRO93B, SER203D, SER210D, SER214D, THR247D, THR88B, TYR158B, TYR92B, VAL101B, VAL201D, VAL244D, VAL95B, VAL96B
• B-E: ALA236B, ARG47E, ASP278B, CYS49E, CYS50E, GLN44E, GLN48E, GLU241B, GLU89E, GLU94E, HIS97E, ILE43E, ILE91E, LEU237B, LEU239B, LEU41E, LEU46E, LEU52E, LYS240B, LYS244B, LYS277B, LYS45E, PHE42E, PRO238B, PRO90E, PRO93E, SER279B, THR280B, TYR158E, TYR92E
• B-M: ASP119B, ASP123B, GLU121B, GLU122B, LEU2M, PHE118B
• C-M: ALA216C, ARG214C, ARG268C, ARG4M, ARG89C, ASP202C, CYS266C, CYS269C, GLY215C, HIS118C, HIS241C, LEU243C, LEU2M, PRO213C, SER212C, TRP200C, TYR127C, TYR265C, TYR267C
• D-E: ALA184D, ALA296D, ARG105D, ARG105E, ARG182D, ARG183D, ARG210E, ARG221D, ARG258D, ARG260D, ARG28D, ARG329E, ASN205E, ASN206E, ASN219E, ASN338D, ASP139D, ASP172E, ASP176D, ASP177D, ASP218D, ASP24D, ASP254D, ASP61D, ASP63D, GLN161E, GLN166E, GLN203E, GLN217D, GLU100D, GLU101D, GLU169E, GLU214E, GLU216D, GLU216E, GLU23D, GLU295D, GLU297D, GLU62D, HIS217E, ILE207E, ILE212E, ILE245E, LEU107E, LEU165E, LEU222D, LEU223D, LEU248E, LEU252E, LYS162E, LYS202E, LYS249E, LYS255D, LYS256E, LYS291E, LYS295E, LYS333E, MET180D, PHE141D, PHE208E, PHE211E, PHE246E, PRO108E, PRO109E, PRO179D, PRO253E, SER110E, SER219D, SER256D, THR102D, THR106E, THR142D, THR145D, THR178D, THR215E, TRP140D, TRP257D, TYR199E, TYR209E, TYR213E, TYR261D, TYR292E, VAL103D, VAL181D, VAL220D, VAL250E, VAL259D, VAL25D, VAL298D, VAL99D
• D-F: ALA292F, ALA457D, ALA534D, ARG106F, ARG108F, ARG110F, ARG294F, ARG418D, ARG420D, ARG459D, ARG498D, ARG49F, ARG537D, ARG70F, ASN494D, ASN535D, ASN539D, ASN79F, ASP11F, ASP279F, ASP280F, ASP290F, ASP453D, ASP492D, ASP531D, ASP572D, ASP574D, ASP64F, ASP77F, CYS50F, GLN26D, GLN272F, GLN288F, GLN571D, GLU109F, GLU277F, GLU379D, GLU460D, GLU581D, GLU67F, GLY138F, GLY72F, GLY73F, HIS340D, HIS454D, HIS497D, HIS63F, ILE111F, ILE275F, ILE458D, ILE71F, LEU278F, LEU287F, LEU382D, LEU421D, LEU496D, LEU68F, LYS283F, LYS416D, LYS4F, LYS542D, LYS576D, LYS74F, LYS8F, MET499D, MET66F, PHE286F, PHE289F, PHE503D, PHE538D, PHE578D, PHE69F, PRO291F, PRO293F, PRO378D, PRO493D, PRO51F, PRO532D, PRO76F, SER285F, SER75F, THR281F, THR53F, THR584D, THR78F, THR7F, TRP417D, TYR107F, TYR456D, TYR495D, TYR577D, TYR80F, VAL455D, VAL52F, VAL533D, VAL536D, VAL573D, VAL575D
• E-F: ALA116E, ALA140F, ALA343E, ARG121F, ARG135F, ARG268F, ARG294F, ARG89F, ASN112E, ASN139F, ASN141F, ASN264F, ASN383E, ASP119E, ASP123E, ASP131F, ASP148F, CYS133F, CYS266F, CYS269F, GLN122F, GLN125F, GLN187F, GLN341E, GLU117E, GLU121E, GLU122E, GLU124E, GLU132F, GLU188F, GLU301E, GLY115E, GLY128F, GLY138F, GLY90F, HIS191F, HIS297E, HIS339E, HIS381E, ILE123F, ILE386E, LEU134F, LYS136F, LYS144F, LYS295E, LYS300E, LYS384E, PHE118E, PHE340E, PRO113E, PRO120E, PRO125E, PRO190F, PRO294E, PRO299E, PRO338E, SER111E, SER120F, SER298E, SER337E, THR114E, THR124F, THR147F, THR296E, THR380E, THR385E, TRP143F, TRP382E, TYR127F, TYR130F, TYR137F, TYR265F, TYR267F, TYR91F, TYR92F, VAL126F, VAL189F, VAL302E, VAL342E
• E-N: ASP119E, ASP123E, GLU121E, GLU122E, LEU2N, PRO120E, PRO125E
• F-N: ALA216F, ARG214F, ARG268F, ARG4N, ARG89F, ASP202F, CYS269F, GLY215F, HIS241F, LEU2N, PRO213F, SER212F, TRP200F, TYR127F, TYR267F