1XLS

crystal structure of the mouse car/rxr lbd heterodimer bound to tcpobop and 9cra and a tif2 peptide containg the third lxxll motifs

• Total interactions analyzed: 120
• Total true interactions: 25
• Strongest Interaction:
  • Chains: G-O
  • Int. Res.: 55
  • Norm. En. per Res.: -4.4308
• Hub Node: A(5)

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	-16.2611	-42.77	0.1729	-58.8581	50	33	0	3924	2	38	35
A-C	0.0	0.0	-1.4885	-1.4885	13	0	1	175	0	0	6
A-E	-47.4954	-153.3228	-279.538	-480.3562	117	21	7	11739	17	48	37
A-G	0.0	-2.5739	-25.0533	-27.6272	29	0	0	1374	0	13	10
A-I	-19.0903	-18.4762	-174.109	-211.6755	51	15	8	6920	3	16	16
B-D	0.0	0.0	-0.1149	-0.1149	8	0	0	50	0	0	3
B-F	-57.4588	-143.9431	-295.45	-496.8519	117	20	7	11926	14	47	41
B-J	-18.965	-17.8149	-172.2	-208.9799	50	16	8	6915	3	16	16
B-L	-7.3039	-3.667	-41.8161	-52.7869	31	5	0	1587	0	11	9
C-D	0.0	-4.9302	-3.5526	-8.4829	23	0	0	393	0	14	14
C-E	0.0	-17.9717	-27.685	-45.6566	38	0	0	1585	1	12	6
C-G	-47.2156	-134.606	-273.206	-455.0276	113	19	7	11384	12	46	40
C-K	-19.0473	-17.9772	-172.425	-209.4495	50	17	8	6903	3	15	16
D-H	-37.7877	-141.3684	-278.91	-458.0661	118	14	7	11490	15	48	35
D-J	0.0	0.0	-1.1222	-1.1222	12	0	0	132	0	3	3
D-K	0.0	0.0	-0.8388	-0.8388	5	0	0	82	0	1	4
D-L	-19.3667	-17.7885	-174.034	-211.1892	51	16	8	6925	3	16	16
E-G	-4.5424	76.038	-52.9885	18.5071	81	39	1	5757	0	37	31
E-K	0.0	0.0	-0.2024	-0.2024	10	0	0	59	0	2	1
E-M	-34.0608	-54.6557	-149.204	-237.9204	55	23	5	7704	4	21	19
F-N	-27.4313	-64.2098	-151.867	-243.5081	55	22	5	7662	4	21	19
G-I	0.0	0.0	-3.0857	-3.0857	10	0	0	250	0	2	2
G-O	-27.7473	-60.5718	-155.374	-243.6931	55	19	5	7610	3	21	19
H-P	-22.0627	-61.3099	-152.005	-235.3776	55	26	5	7656	5	21	19
J-L	0.0	0.0	-1.5071	-1.5071	12	0	0	266	0	3	2

Interface residues

• A-B: ALA238B, ALA402A, ALA402B, ARG234A, ARG234B, ASN227A, ASN227B, ASP229B, ASP363A, ASP363B, CYS404A, GLN361A, GLN411A, GLU228A, GLU228B, GLU233A, GLU233B, GLU237A, GLU237B, GLU239B, GLU291B, GLU401A, GLU410A, GLY368B, HIS288B, HIS406A, HIS406B, ILE235A, ILE235B, LEU236A, LEU236B, LEU240A, LEU240B, LYS364B, LYS405A, LYS407A, LYS407B, MET230B, PRO231A, PRO231B, PRO287B, PRO409A, SER399B, THR365A, THR365B, TYR403A, TYR403B, TYR408A, VAL232A, VAL232B
• A-C: ALA387A, ALA387C, ALA391A, ASN385A, ASN385C, GLU388A, GLU388C, GLU390A, GLU390C, GLU394A, PRO386A, PRO386C, SER384C
• A-E: ALA276E, ALA299E, ALA320E, ALA327E, ALA335E, ALA344A, ALA398A, ALA402A, ALA416A, ALA424A, ARG282E, ARG288E, ARG316E, ARG330E, ARG348A, ARG393A, ARG414A, ARG421A, ARG426A, ASN258E, ASN303E, ASN304E, ASN333E, ASN334E, ASN377A, ASP281E, ASP292E, ASP328E, ASP359A, ASP379A, GLN245E, GLN293E, GLN295E, GLU210E, GLU247E, GLU250E, GLU289E, GLU296E, GLU297E, GLU307A, GLU352A, GLU390A, GLU394A, GLU401A, GLU434A, GLY284E, GLY324E, GLY382A, GLY413A, GLY429A, HIS254E, ILE252E, ILE306E, ILE332E, ILE345A, ILE373A, ILE428A, LEU249E, LEU262E, LEU300E, LEU302E, LEU318E, LEU322E, LEU325E, LEU326E, LEU329E, LEU350A, LEU353A, LEU400A, LEU418A, LEU419A, LEU420A, LEU422A, LEU425A, LEU430A, LEU433A, LYS257E, LYS321E, LYS356A, LYS381A, LYS395A, LYS405A, LYS417A, LYS431A, MET298E, MET307E, MET323E, PHE248E, PHE255E, PHE278E, PHE317E, PHE415A, PHE437A, PRO280E, PRO283E, PRO378A, PRO412A, PRO423A, PRO458A, SER251E, SER279E, SER315E, SER331E, SER337E, SER355A, SER380A, SER399A, SER427A, THR275E, THR351A, TYR246E, TYR319E, TYR338E, TYR397A, VAL285E, VAL374A, VAL396A
• A-G: ALA457A, ARG302A, ASN226G, ASN385A, ASP295A, ASP296A, CYS221G, GLN223G, GLU225G, GLU237G, GLU456A, GLY261G, GLY382A, HIS155G, HIS263G, ILE299A, LEU222G, LEU294A, LEU383A, LYS257G, LYS381A, MET236G, PHE220G, PRO293A, PRO386A, PRO458A, SER384A, THR224G, VAL298A
• A-I: ALA283A, ALA303A, ALA739I, ALA743I, ARG285A, ARG302A, ARG746I, ASN742I, ASP273A, ASP295A, ASP296A, ASP750I, ASP752I, ASP753I, GLN297A, GLU281A, GLU453A, GLU456A, GLU741I, ILE299A, LEU276A, LEU279A, LEU292A, LEU294A, LEU300A, LEU301A, LEU451A, LEU455A, LEU744I, LEU745I, LEU748I, LEU749I, LYS284A, LYS751I, MET452A, MET454A, PHE277A, PHE289A, PHE450A, PRO293A, PRO458A, SER290A, THR278A, THR449A, THR754I, TRP282A, TRP305A, TYR747I, VAL242A, VAL280A, VAL298A
• B-D: ASP295D, LEU294D, MET452B, PHE277D, PRO258B, SER259B, THR449B, THR449D
• B-F: ALA276F, ALA299F, ALA320F, ALA327F, ALA335F, ALA344B, ALA398B, ALA402B, ALA416B, ALA424B, ARG282F, ARG288F, ARG316F, ARG330F, ARG348B, ARG393B, ARG414B, ARG421B, ARG426B, ASN258F, ASN303F, ASN304F, ASN333F, ASN334F, ASN377B, ASP281F, ASP292F, ASP328F, ASP347B, ASP359B, ASP379B, GLN245F, GLN293F, GLN295F, GLU210F, GLU247F, GLU250F, GLU289F, GLU296F, GLU297F, GLU307B, GLU352B, GLU390B, GLU394B, GLU401B, GLU434B, GLY284F, GLY324F, GLY382B, GLY413B, GLY429B, HIS254F, ILE252F, ILE306F, ILE332F, ILE345B, ILE373B, ILE428B, LEU249F, LEU262F, LEU300F, LEU302F, LEU318F, LEU322F, LEU325F, LEU326F, LEU329F, LEU350B, LEU353B, LEU400B, LEU418B, LEU419B, LEU420B, LEU422B, LEU425B, LEU430B, LEU433B, LYS321F, LYS356B, LYS381B, LYS395B, LYS405B, LYS417B, LYS431B, MET298F, MET307F, MET323F, PHE248F, PHE255F, PHE278F, PHE317F, PHE415B, PHE437B, PRO280F, PRO283F, PRO378B, PRO412B, PRO423B, PRO458B, SER251F, SER279F, SER315F, SER331F, SER337F, SER355B, SER380B, SER399B, SER427B, THR275F, THR351B, TYR246F, TYR319F, TYR338F, TYR397B, VAL285F, VAL349B, VAL396B
• B-J: ALA283B, ALA303B, ALA739J, ALA743J, ARG285B, ARG302B, ARG746J, ASN742J, ASP273B, ASP295B, ASP296B, ASP750J, ASP752J, ASP753J, GLN297B, GLU281B, GLU453B, GLU456B, GLU741J, ILE299B, LEU276B, LEU279B, LEU294B, LEU300B, LEU301B, LEU451B, LEU455B, LEU744J, LEU745J, LEU748J, LEU749J, LYS284B, LYS751J, MET452B, MET454B, PHE277B, PHE289B, PHE450B, PRO293B, PRO458B, SER290B, THR278B, THR449B, THR754J, TRP282B, TRP305B, TYR747J, VAL242B, VAL280B, VAL298B
• B-L: ALA739L, ALA743L, ARG746L, ASP273B, ASP444B, ASP448B, ASP750L, GLN270B, GLU281B, GLU741L, ILE447B, LEU276B, LEU451B, LEU744L, LEU745L, LEU748L, LYS274B, LYS740L, LYS751L, MET452B, PHE277B, PHE450B, PRO258B, PRO446B, SER259B, SER260B, THR266B, THR445B, THR449B, THR754L, TYR747L
• C-D: ALA241C, ARG234C, ARG285C, ASN227C, GLU233C, GLU233D, GLU237C, GLU237D, GLU243C, GLU243D, HIS406D, LEU236C, LEU236D, LEU240C, LEU240D, LYS245C, LYS364D, LYS407D, PRO231C, PRO244C, PRO409D, THR246C, TYR403D
• C-E: ALA303C, ALA457C, ARG302C, ARG312E, ASP295C, ASP296C, CYS221E, GLN223E, GLN297C, GLN314E, GLU225E, GLU291C, GLU456C, GLY261E, GLY382C, HIS154E, HIS155E, HIS263E, ILE299C, LEU222E, LEU253E, LEU292C, LEU294C, LEU313E, LEU383C, LYS257E, LYS260E, LYS381C, MET236E, PHE220E, PRO293C, PRO458C, SER290C, SER315E, SER380C, SER384C, THR224E, VAL298C
• C-G: ALA276G, ALA299G, ALA320G, ALA327G, ALA335G, ALA344C, ALA398C, ALA402C, ALA416C, ALA424C, ARG282G, ARG288G, ARG316G, ARG330G, ARG348C, ARG393C, ARG414C, ARG421C, ARG426C, ASN258G, ASN303G, ASN304G, ASN333G, ASN334G, ASN377C, ASP281G, ASP292G, ASP328G, ASP347C, ASP359C, ASP379C, GLN293G, GLN295G, GLU210G, GLU247G, GLU250G, GLU289G, GLU296G, GLU297G, GLU307C, GLU352C, GLU390C, GLU394C, GLU401C, GLU434C, GLY284G, GLY324G, GLY413C, GLY429C, HIS254G, ILE252G, ILE306G, ILE332G, ILE345C, ILE373C, ILE428C, LEU249G, LEU300G, LEU302G, LEU318G, LEU322G, LEU325G, LEU326G, LEU329G, LEU350C, LEU353C, LEU400C, LEU418C, LEU419C, LEU420C, LEU422C, LEU425C, LEU430C, LEU433C, LYS321G, LYS356C, LYS381C, LYS395C, LYS405C, LYS417C, LYS431C, MET298G, MET307G, MET323G, PHE248G, PHE255G, PHE278G, PHE317G, PHE415C, PHE437C, PRO280G, PRO283G, PRO378C, PRO412C, PRO423C, SER251G, SER279G, SER315G, SER331G, SER337G, SER355C, SER380C, SER399C, SER427C, THR275G, THR351C, TYR246G, TYR319G, TYR338G, TYR397C, VAL285G, VAL349C, VAL396C
• C-K: ALA283C, ALA303C, ALA739K, ALA743K, ARG285C, ARG302C, ARG746K, ASN742K, ASP273C, ASP295C, ASP296C, ASP750K, ASP752K, ASP753K, GLN297C, GLU281C, GLU453C, GLU456C, GLU741K, ILE299C, LEU276C, LEU279C, LEU294C, LEU300C, LEU301C, LEU451C, LEU455C, LEU744K, LEU745K, LEU748K, LEU749K, LYS284C, LYS751K, MET452C, MET454C, PHE277C, PHE289C, PHE450C, PRO293C, PRO458C, SER290C, THR278C, THR449C, THR754K, TRP282C, TRP305C, TYR747K, VAL242C, VAL280C, VAL298C
• D-H: ALA276H, ALA299H, ALA320H, ALA327H, ALA335H, ALA344D, ALA398D, ALA402D, ALA416D, ALA424D, ARG282H, ARG288H, ARG316H, ARG330H, ARG348D, ARG393D, ARG414D, ARG421D, ARG426D, ASN258H, ASN303H, ASN304H, ASN333H, ASN334H, ASN377D, ASP281H, ASP292H, ASP328H, ASP347D, ASP359D, ASP379D, GLN245H, GLN293H, GLN295H, GLU210H, GLU247H, GLU250H, GLU289H, GLU296H, GLU297H, GLU307D, GLU352D, GLU390D, GLU394D, GLU401D, GLU434D, GLY284H, GLY324H, GLY382D, GLY413D, GLY429D, HIS254H, ILE252H, ILE306H, ILE332H, ILE345D, ILE373D, ILE428D, LEU249H, LEU262H, LEU300H, LEU302H, LEU318H, LEU322H, LEU325H, LEU326H, LEU329H, LEU350D, LEU353D, LEU400D, LEU418D, LEU419D, LEU420D, LEU422D, LEU425D, LEU430D, LEU433D, LYS257H, LYS321H, LYS356D, LYS381D, LYS395D, LYS405D, LYS417D, LYS431D, MET298H, MET307H, MET323H, PHE248H, PHE255H, PHE278H, PHE317H, PHE415D, PHE437D, PHE438D, PRO280H, PRO283H, PRO378D, PRO412D, PRO423D, PRO458D, SER251H, SER279H, SER315H, SER331H, SER337H, SER355D, SER380D, SER399D, SER427D, THR275H, THR351D, TYR246H, TYR319H, TYR338H, TYR397D, VAL285H, VAL396D
• D-J: ASN257D, ASP448D, GLU281D, GLU741J, LEU744J, LYS740J, PHE277D, PRO258D, SER259D, SER260D, THR449D, TYR747J
• D-K: ASN227D, ASP229D, ASP753K, GLU228D, THR754K
• D-L: ALA283D, ALA303D, ALA739L, ALA743L, ARG285D, ARG302D, ARG746L, ASN742L, ASP273D, ASP295D, ASP296D, ASP750L, ASP752L, ASP753L, GLN297D, GLU281D, GLU453D, GLU456D, GLU741L, ILE299D, LEU276D, LEU279D, LEU292D, LEU294D, LEU300D, LEU301D, LEU451D, LEU455D, LEU744L, LEU745L, LEU748L, LEU749L, LYS284D, LYS751L, MET452D, MET454D, PHE277D, PHE289D, PHE450D, PRO293D, PRO458D, SER290D, THR278D, THR449D, THR754L, TRP282D, TRP305D, TYR747L, VAL242D, VAL280D, VAL298D
• E-G: ALA239G, ALA242E, ALA242G, ARG156E, ARG156G, ARG161E, ARG161G, ARG342E, ARG342G, ASN226E, ASN226G, ASP238E, ASP238G, GLN159E, GLN159G, GLN223E, GLN245E, GLN245G, GLN341G, GLU225E, GLU225G, GLU237E, GLU237G, GLU247E, GLU247G, GLU250E, GLU250G, GLU339G, GLU344G, GLU345E, GLU345G, GLY162E, GLY162G, GLY243E, GLY243G, HIS154E, HIS155E, HIS155G, HIS241E, HIS241G, HIS254E, HIS254G, LEU165E, LEU165G, LEU168E, LEU168G, LEU249E, LEU249G, LEU253E, LEU253G, LEU343E, LEU343G, LYS235E, LYS235G, LYS257E, LYS257G, MET153E, MET236E, MET236G, MET349G, PHE158E, PHE158G, PHE244E, PHE244G, PHE248G, PRO157E, PRO157G, PRO160E, PRO160G, PRO163E, PRO163G, PRO166E, PRO166G, THR224E, TYR246E, TYR246G, TYR338G, VAL164E, VAL164G, VAL240E, VAL240G
• E-K: ALA739K, ARG312E, ARG746K, ASN742K, ASP750K, CYS221E, GLN223E, HIS263E, LEU222E, LYS260E
• E-M: ALA208E, ALA739M, ALA743M, ARG193E, ARG746M, ASN742M, ASP188E, ASP199E, ASP750M, ASP752M, ASP753M, CYS357E, GLN180E, GLN181E, GLN200E, GLU198E, GLU355E, GLU741M, GLY206E, GLY284E, GLY354E, HIS134E, ILE182E, ILE183E, ILE201E, ILE356E, LEU203E, LEU204E, LEU352E, LEU353E, LEU744M, LEU745M, LEU748M, LEU749M, LYS184E, LYS187E, LYS205E, LYS740M, LYS751M, LYS755M, MET197E, PHE177E, PHE185E, PHE192E, PRO283E, PRO351E, SER202E, SER358E, THR176E, THR186E, THR196E, THR350E, THR754M, TYR747M, VAL179E
• F-N: ALA208F, ALA739N, ALA743N, ARG193F, ARG746N, ASN742N, ASP188F, ASP199F, ASP750N, ASP752N, ASP753N, CYS357F, GLN180F, GLN181F, GLN200F, GLU198F, GLU355F, GLU741N, GLY206F, GLY284F, GLY354F, HIS134F, ILE182F, ILE183F, ILE201F, ILE356F, LEU203F, LEU204F, LEU352F, LEU353F, LEU744N, LEU745N, LEU748N, LEU749N, LYS184F, LYS187F, LYS205F, LYS740N, LYS751N, LYS755N, MET197F, PHE177F, PHE185F, PHE192F, PRO283F, PRO351F, SER202F, SER358F, THR176F, THR186F, THR196F, THR350F, THR754N, TYR747N, VAL179F
• G-I: ALA739I, ARG746I, ASN742I, CYS221G, GLN223G, GLU741I, LEU745I, LYS740I, PHE228G, THR224G
• G-O: ALA208G, ALA739O, ALA743O, ARG193G, ARG746O, ASN742O, ASP188G, ASP199G, ASP750O, ASP752O, ASP753O, CYS357G, GLN180G, GLN181G, GLN200G, GLU198G, GLU355G, GLU741O, GLY206G, GLY284G, GLY354G, HIS134G, ILE182G, ILE183G, ILE201G, ILE356G, LEU203G, LEU204G, LEU352G, LEU353G, LEU744O, LEU745O, LEU748O, LEU749O, LYS184G, LYS187G, LYS205G, LYS740O, LYS751O, LYS755O, MET197G, PHE177G, PHE185G, PHE192G, PRO283G, PRO351G, SER202G, SER358G, THR176G, THR186G, THR196G, THR350G, THR754O, TYR747O, VAL179G
• H-P: ALA208H, ALA739P, ALA743P, ARG193H, ARG746P, ASN742P, ASP188H, ASP199H, ASP750P, ASP752P, ASP753P, CYS357H, GLN180H, GLN181H, GLN200H, GLU198H, GLU355H, GLU741P, GLY206H, GLY284H, GLY354H, HIS134H, ILE182H, ILE183H, ILE201H, ILE356H, LEU203H, LEU204H, LEU352H, LEU353H, LEU744P, LEU745P, LEU748P, LEU749P, LYS184H, LYS187H, LYS205H, LYS740P, LYS751P, LYS755P, MET197H, PHE177H, PHE185H, PHE192H, PRO283H, PRO351H, SER202H, SER358H, THR176H, THR186H, THR196H, THR350H, THR754P, TYR747P, VAL179H
• J-L: ASP752J, ASP753L, LEU744J, LEU744L, LEU748J, LEU748L, LYS751J, LYS751L, THR754J, THR754L, TYR747J, TYR747L