3NBY

crystal structure of the pki nes-crm1-rangtp nuclear export complex

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: F-D
  • Int. Res.: 256
  • Norm. En. per Res.: -2.8043
• Hub Node: B(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
B-A	-54.6815	-4.9248	-409.856	-469.4624	224	61	17	21590	5	57	54
B-D	0.0	-2.4738	-1.0772	-3.551	19	0	0	191	0	3	6
C-A	-61.6366	-175.7615	-414.255	-651.6531	256	41	7	20083	13	138	113
A-D	-8.8339	-23.4864	-62.2435	-94.5637	78	13	2	4082	2	24	14
E-D	-77.5874	-21.6638	-507.394	-606.6451	233	60	15	23378	4	63	59
F-D	-90.9301	-197.2946	-429.683	-717.9077	256	40	7	20408	14	142	117

Interface residues

• B-A: ALA140B, ALA21B, ALA22B, ALA538A, ALA541A, ALA557A, ALA5B, ALA672A, ALA783A, ALA98B, ALA9B, ARG128B, ARG150B, ARG277B, ARG515A, ARG532A, ARG712A, ARG790A, ASN149B, ASN176B, ASN179B, ASN2B, ASN359B, ASN536A, ASN543A, ASN567A, ASN616A, ASN617A, ASN619A, ASN675A, ASN719A, ASN775A, ASN99B, ASP12B, ASP16B, ASP254B, ASP351B, ASP523A, ASP535A, ASP578A, ASP624A, ASP666A, ASP677A, ASP681A, ASP716A, ASP782A, ASP787A, CYS147B, CYS355B, CYS528A, CYS623A, CYS723A, GLN100B, GLN15B, GLN180B, GLN29B, GLN530A, GLN581A, GLN626A, GLN628A, GLN629A, GLN663A, GLN670A, GLN671A, GLN687A, GLN709A, GLU177B, GLU252B, GLU358B, GLU3B, GLU529A, GLU571A, GLU575A, GLU613A, GLU683A, GLU726A, GLU774A, GLY-1B, GLY10B, GLY126B, GLY145B, GLY354B, GLY526A, GLY533A, GLY579A, GLY711A, HIS348B, HIS352B, HIS558A, HIS574A, HIS577A, ILE13B, ILE174B, ILE521A, ILE539A, ILE540A, ILE544A, ILE547A, ILE621A, ILE622A, ILE668A, ILE669A, ILE678A, ILE691A, ILE708A, ILE713A, ILE786A, LEU101B, LEU103B, LEU11B, LEU1B, LEU27B, LEU356B, LEU4B, LEU517A, LEU524A, LEU525A, LEU527A, LEU555A, LEU562A, LEU569A, LEU625A, LEU659A, LEU660A, LEU679A, LEU6B, LEU710A, LEU715A, LEU718A, LEU780A, LEU781A, LEU8B, LYS127B, LYS143B, LYS220B, LYS222B, LYS227B, LYS514A, LYS522A, LYS531A, LYS534A, LYS537A, LYS560A, LYS563A, LYS568A, LYS674A, LYS686A, LYS722A, LYS7B, MET280B, MET357B, MET545A, MET573A, MET583A, MET717A, MET771A, PHE151B, PHE226B, PHE516A, PHE554A, PHE561A, PHE570A, PHE572A, PHE776A, PRO124B, PRO225B, PRO23B, PRO278B, PRO350B, PRO353B, PRO627A, PRO661A, PRO682A, PRO778A, PRO779A, SER0B, SER144B, SER14B, SER19B, SER28B, SER349B, SER35B, SER542A, SER667A, SER690A, THR142B, THR181B, THR20B, THR221B, THR519A, THR564A, THR576A, THR620A, THR673A, THR684A, TRP106B, TRP275B, TRP559A, TRP665A, TYR146B, TYR175B, TYR182B, TYR279B, TYR34B, TYR714A, VAL125B, VAL148B, VAL178B, VAL253B, VAL440A, VAL441A, VAL518A, VAL520A, VAL548A, VAL565A, VAL566A, VAL580A, VAL630A, VAL664A, VAL676A, VAL685A, VAL707A, VAL720A, VAL777A
• B-D: ASN767D, ASP248B, ASP768D, GLU358B, GLU908D, GLU955D, GLY642D, HIS348B, HIS704D, HIS814D, LEU356B, LYS810D, MET357B, PRO250B, PRO705D, PRO769D, SER766D, THR645D, TYR381D
• C-A: ALA133C, ALA224A, ALA41A, ALA41C, ALA46A, ALA67C, ALA83C, ALA937A, ARG1016A, ARG106C, ARG110C, ARG129C, ARG140C, ARG231A, ARG29C, ARG44A, ARG753A, ARG76C, ARG845A, ARG887A, ARG95C, ASN100C, ASN103C, ASN114C, ASN143C, ASN154C, ASN156C, ASN173C, ASN234A, ASN262A, ASN310A, ASN317A, ASN321A, ASN33A, ASN435A, ASN452A, ASN456A, ASN62C, ASN74A, ASN85A, ASN888A, ASP107C, ASP125C, ASP128C, ASP148C, ASP180A, ASP18C, ASP313A, ASP436A, ASP447A, ASP449A, ASP77C, ASP837A, ASP891A, ASP91C, ASP932A, CYS112C, CYS327A, CYS34A, CYS369A, GLN10C, GLN136A, GLN145C, GLN185A, GLN316A, GLN320A, GLN42A, GLN47A, GLN71A, GLN81A, GLN82C, GLN895A, GLU113C, GLU123A, GLU176A, GLU177A, GLU227A, GLU270A, GLU34C, GLU362A, GLU364A, GLU36C, GLU371A, GLU39A, GLU429A, GLU434A, GLU443A, GLU46C, GLU48A, GLU70C, GLU839A, GLU840A, GLU843A, GLU84A, GLY121C, GLY128A, GLY170C, GLY184A, GLY19C, GLY20C, GLY311A, GLY38A, GLY44C, GLY68C, GLY73C, GLY74C, GLY78C, GLY938A, HIS105C, HIS139C, HIS37A, HIS52A, HIS884A, HIS935A, ILE1022A, ILE126C, ILE136C, ILE149C, ILE365A, ILE368A, ILE451A, ILE81C, ILE82A, LEU119C, LEU144C, LEU173A, LEU174A, LEU230A, LEU324A, LEU35A, LEU370A, LEU431A, LEU43C, LEU453A, LEU50A, LEU69C, LEU75C, LEU80A, LEU939A, LYS1012A, LYS1023A, LYS123C, LYS124A, LYS127C, LYS129A, LYS12C, LYS130C, LYS132C, LYS134C, LYS139A, LYS141C, LYS142C, LYS152C, LYS159C, LYS167C, LYS172A, LYS266A, LYS312A, LYS331A, LYS367A, LYS37C, LYS38C, LYS446A, LYS455A, LYS71C, LYS741A, LYS757A, LYS76A, LYS88A, LYS99C, MET132A, MET445A, MET45A, MET73A, MET886A, PHE138C, PHE157C, PHE181A, PHE318A, PHE35C, PHE366A, PHE444A, PHE72C, PHE838A, PRO102C, PRO116C, PRO172C, PRO49C, PRO798A, PRO842A, SER135C, SER150C, SER153C, SER175A, SER182A, SER183A, SER309A, SER323A, SER450A, SER928A, SER934A, SER94C, THR269A, THR328A, THR363A, THR42C, THR448A, THR51A, THR66C, THR75A, THR846A, THR885A, THR931A, THR933A, THR936A, THR93C, THR940A, THR97C, TRP104C, TRP163C, TRP64C, TYR126A, TYR146C, TYR147C, TYR155C, TYR308A, TYR36A, TYR372A, TYR39C, TYR77A, TYR78A, TYR79C, TYR80C, TYR841A, VAL101C, VAL109C, VAL111C, VAL124C, VAL125A, VAL131C, VAL135A, VAL137C, VAL169A, VAL178A, VAL31A, VAL40C, VAL430A, VAL432A, VAL433A, VAL45C, VAL47C, VAL49A, VAL889A, VAL929A, VAL92C, VAL96C
• A-D: ALA643D, ALA825A, ALA865A, ALA869A, ARG556D, ARG597D, ARG790A, ARG796A, ASN675A, ASN727A, ASN767D, ASN791A, ASN903D, ASP646D, ASP677A, ASP768D, ASP782A, ASP787A, ASP824A, CYS829A, GLN601D, GLN603D, GLN644D, GLN647D, GLN650D, GLN733A, GLN770D, GLN789A, GLN821A, GLN870A, GLN906D, GLU606D, GLU651D, GLU726A, GLU818A, GLU828A, GLY605D, GLY642D, GLY812D, GLY813D, HIS598D, HIS704D, HIS814D, HIS858D, ILE641D, ILE654D, ILE678A, ILE708D, ILE786A, ILE819A, ILE822A, ILE866A, LEU781A, LEU811D, LEU864A, LYS674A, LYS680A, LYS722A, PHE706D, PHE823A, PHE871A, PRO705D, PRO769D, PRO820A, PRO867A, PRO868A, SER857D, THR645D, THR648D, THR673A, VAL600D, VAL602D, VAL604D, VAL607D, VAL649D, VAL676A, VAL702D, VAL792A
• E-D: ALA140E, ALA21E, ALA22E, ALA538D, ALA541D, ALA557D, ALA584D, ALA5E, ALA672D, ALA783D, ALA98E, ALA9E, ARG128E, ARG150E, ARG277E, ARG515D, ARG532D, ARG712D, ARG790D, ASN149E, ASN176E, ASN179E, ASN2E, ASN359E, ASN536D, ASN543D, ASN567D, ASN616D, ASN617D, ASN619D, ASN675D, ASN719D, ASN775D, ASN99E, ASP12E, ASP16E, ASP254E, ASP351E, ASP523D, ASP535D, ASP578D, ASP582D, ASP624D, ASP666D, ASP681D, ASP716D, ASP782D, CYS147E, CYS355E, CYS528D, CYS623D, CYS723D, GLN100E, GLN15E, GLN180E, GLN530D, GLN581D, GLN626D, GLN628D, GLN629D, GLN647D, GLN663D, GLN670D, GLN671D, GLN687D, GLN709D, GLU177E, GLU252E, GLU358E, GLU3E, GLU529D, GLU571D, GLU575D, GLU613D, GLU651D, GLU655D, GLU683D, GLU726D, GLU774D, GLY-1E, GLY10E, GLY126E, GLY145E, GLY268E, GLY354E, GLY526D, GLY533D, GLY579D, GLY711D, HIS348E, HIS352E, HIS558D, HIS574D, HIS577D, HIS704D, ILE13E, ILE174E, ILE521D, ILE539D, ILE540D, ILE544D, ILE621D, ILE622D, ILE654D, ILE668D, ILE669D, ILE678D, ILE691D, ILE708D, ILE713D, ILE786D, LEU101E, LEU103E, LEU11E, LEU1E, LEU27E, LEU356E, LEU4E, LEU517D, LEU524D, LEU525D, LEU527D, LEU555D, LEU562D, LEU569D, LEU625D, LEU659D, LEU660D, LEU679D, LEU688D, LEU6E, LEU710D, LEU715D, LEU718D, LEU744D, LEU8E, LYS127E, LYS143E, LYS220E, LYS222E, LYS227E, LYS33E, LYS514D, LYS522D, LYS531D, LYS534D, LYS537D, LYS560D, LYS563D, LYS568D, LYS674D, LYS680D, LYS686D, LYS722D, LYS7E, MET280E, MET357E, MET545D, MET573D, MET583D, MET717D, MET771D, PHE151E, PHE226E, PHE554D, PHE561D, PHE570D, PHE572D, PHE706D, PHE776D, PRO124E, PRO225E, PRO23E, PRO278E, PRO350E, PRO353E, PRO627D, PRO661D, PRO682D, PRO705D, PRO778D, PRO779D, SER0E, SER144E, SER14E, SER19E, SER28E, SER349E, SER35E, SER542D, SER667D, SER690D, THR142E, THR181E, THR20E, THR221E, THR519D, THR564D, THR576D, THR620D, THR673D, THR684D, TRP106E, TRP275E, TRP559D, TRP665D, TRP762D, TYR146E, TYR175E, TYR182E, TYR279E, TYR34E, TYR714D, VAL125E, VAL148E, VAL178E, VAL253E, VAL440D, VAL441D, VAL518D, VAL520D, VAL548D, VAL565D, VAL566D, VAL580D, VAL630D, VAL664D, VAL676D, VAL685D, VAL707D, VAL720D, VAL772D, VAL777D
• F-D: ALA133F, ALA41D, ALA41F, ALA46D, ALA67F, ALA83F, ALA937D, ARG1016D, ARG106F, ARG110F, ARG129F, ARG140F, ARG231D, ARG29F, ARG44D, ARG746D, ARG753D, ARG76F, ARG845D, ARG887D, ARG95F, ASN100F, ASN103F, ASN114F, ASN143F, ASN154F, ASN156F, ASN173F, ASN262D, ASN310D, ASN317D, ASN321D, ASN33D, ASN435D, ASN452D, ASN456D, ASN62F, ASN74D, ASN85D, ASN888D, ASP107F, ASP125F, ASP128F, ASP148F, ASP180D, ASP18F, ASP313D, ASP436D, ASP447D, ASP449D, ASP77F, ASP837D, ASP891D, ASP91F, ASP932D, CYS112F, CYS327D, CYS34D, CYS369D, GLN10F, GLN136D, GLN145F, GLN185D, GLN316D, GLN320D, GLN42D, GLN437D, GLN47D, GLN71D, GLN81D, GLN82F, GLN895D, GLU113F, GLU123D, GLU176D, GLU177D, GLU227D, GLU270D, GLU34F, GLU362D, GLU364D, GLU36F, GLU371D, GLU39D, GLU429D, GLU434D, GLU443D, GLU46F, GLU48D, GLU70F, GLU839D, GLU840D, GLU843D, GLU84D, GLY121F, GLY128D, GLY170F, GLY184D, GLY19F, GLY20F, GLY311D, GLY38D, GLY44F, GLY68F, GLY73F, GLY74F, GLY78F, GLY938D, HIS105F, HIS139F, HIS37D, HIS52D, HIS884D, HIS935D, ILE1022D, ILE126F, ILE127D, ILE136F, ILE149F, ILE365D, ILE368D, ILE451D, ILE81F, ILE82D, LEU119F, LEU144F, LEU173D, LEU174D, LEU230D, LEU324D, LEU35D, LEU370D, LEU431D, LEU43F, LEU453D, LEU50D, LEU69F, LEU75F, LEU80D, LEU939D, LYS1012D, LYS1023D, LYS123F, LYS124D, LYS127F, LYS129D, LYS12F, LYS130F, LYS132F, LYS134F, LYS139D, LYS141F, LYS142F, LYS152F, LYS159F, LYS167F, LYS172D, LYS266D, LYS312D, LYS331D, LYS367D, LYS37F, LYS38F, LYS446D, LYS455D, LYS700D, LYS71F, LYS741D, LYS76D, LYS88D, LYS99F, MET132D, MET445D, MET45D, MET73D, MET886D, PHE138F, PHE157F, PHE181D, PHE318D, PHE35F, PHE366D, PHE444D, PHE72F, PHE838D, PRO102F, PRO116F, PRO172F, PRO49F, PRO798D, PRO842D, SER135F, SER150F, SER153F, SER175D, SER182D, SER183D, SER309D, SER323D, SER450D, SER928D, SER934D, SER94F, THR269D, THR328D, THR363D, THR42F, THR448D, THR51D, THR66F, THR75D, THR885D, THR931D, THR933D, THR936D, THR93F, THR940D, THR97F, TRP104F, TRP163F, TRP64F, TYR126D, TYR146F, TYR147F, TYR155F, TYR308D, TYR36D, TYR372D, TYR39F, TYR77D, TYR78D, TYR79F, TYR80F, TYR841D, VAL101F, VAL109F, VAL111F, VAL124F, VAL125D, VAL131F, VAL135D, VAL137F, VAL169D, VAL178D, VAL31D, VAL40F, VAL430D, VAL432D, VAL433D, VAL45F, VAL47F, VAL49D, VAL889D, VAL929D, VAL92F, VAL96F