1XV9

crystal structure of car/rxr heterodimer bound with src1 peptide, fatty acid, and 5b-pregnane-3,20-dione.

• Total interactions analyzed: 28
• Total true interactions: 12
• Strongest Interaction:
  • Chains: C-G
  • Int. Res.: 47
  • Norm. En. per Res.: -4.2659
• 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	-25.2513	-86.4623	-285.003	-396.7166	122	16	9	12443	11	56	46
A-C	-6.5482	-8.3259	-144.31	-159.1841	74	9	5	6075	2	11	13
A-D	0.0	0.0	-8.3538	-8.3538	23	1	0	532	0	3	3
A-E	-14.8413	-21.5771	-133.692	-170.1105	44	11	7	5697	2	18	7
A-H	0.0	5.1211	-12.753	-7.6319	13	2	0	480	0	5	3
B-C	0.0	-2.2696	-7.7806	-10.0502	28	0	0	497	0	5	8
B-F	-37.6114	-12.643	-127.55	-177.8044	44	8	6	6323	1	15	11
B-G	0.0	0.0	-0.0842	-0.0842	6	0	0	32	0	0	1
C-D	-26.6949	-110.9267	-228.507	-366.1286	110	25	10	11069	13	57	42
C-F	0.0	-7.1812	-6.3381	-13.5194	13	0	0	427	0	12	2
C-G	-28.6115	-28.4154	-143.472	-200.4989	47	19	7	6060	2	21	12
D-H	-5.8269	-16.7618	-106.905	-129.4937	43	9	5	5918	0	17	14

Interface residues

• A-B: ALA266B, ALA289B, ALA310B, ALA317B, ALA325B, ALA344A, ALA387A, ALA398A, ALA402A, ALA416A, ALA424A, ARG272B, ARG278B, ARG302A, ARG306B, ARG320B, ARG348A, ARG393A, ARG414A, ARG421A, ARG426A, ASN227A, ASN323B, ASN377A, ASP271B, ASP279B, ASP282B, ASP305B, ASP347A, ASP379A, CYS432A, GLN235B, GLN283B, GLN285B, GLN293B, GLU200B, GLU237B, GLU240B, GLU286B, GLU287B, GLU307A, GLU318B, GLU324B, GLU352A, GLU390A, GLU394A, GLU401A, GLU434A, GLY196B, GLY274B, GLY314B, GLY382A, GLY413A, GLY429A, HIS244B, HIS332B, ILE281B, ILE322B, ILE345A, ILE373A, ILE428A, LEU239B, LEU241B, LEU242B, LEU252B, LEU284B, LEU290B, LEU308B, LEU312B, LEU313B, LEU315B, LEU316B, LEU319B, LEU353A, LEU383A, LEU400A, LEU418A, LEU419A, LEU420A, LEU422A, LEU425A, LEU430A, LEU433A, LYS297B, LYS311B, LYS356A, LYS381A, LYS395A, LYS405A, LYS417A, LYS431A, MET265B, MET288B, PHE238B, PHE243B, PHE245B, PHE268B, PHE307B, PHE415A, PHE437A, PRO270B, PRO273B, PRO378A, PRO386A, PRO412A, PRO423A, PRO458A, SER269B, SER321B, SER355A, SER380A, SER399A, SER427A, THR248B, THR351A, TYR309B, TYR328B, TYR397A, VAL236B, VAL275B, VAL374A, VAL396A
• A-C: ALA337A, ALA337C, ALA340A, ALA340C, ALA344A, ALA344C, ALA457C, ARG334A, ARG334C, ARG348A, ASN257A, ASN257C, ASN335A, ASN335C, ASP263C, ASP347A, ASP347C, ASP444A, ASP444C, CYS432A, GLU434A, GLU434C, GLY255A, GLY255C, GLY341A, GLY341C, GLY343A, GLY343C, GLY443A, GLY443C, HIS333A, HIS338A, HIS338C, HIS435A, HIS435C, ILE345A, ILE345C, ILE442A, ILE442C, LEU256A, LEU256C, LEU430A, LEU433A, LEU433C, LEU436A, LEU436C, LEU441A, LEU441C, LYS431A, LYS431C, LYS440A, LYS440C, MET254A, MET254C, PHE346C, PHE437A, PHE437C, PHE438A, PHE438C, PHE439A, PHE439C, PRO258A, PRO258C, PRO458C, SER336A, SER336C, SER339A, SER339C, THR445A, THR445C, VAL265A, VAL265C, VAL342A, VAL342C
• A-D: ASN257A, ASP444A, CYS347D, GLN331D, GLU188D, GLU324D, GLY274D, GLY443A, HIS332D, ILE442A, ILE447A, LEU441A, LYS195D, LYS440A, MET452A, PHE439A, PRO258A, PRO273D, PRO446A, SER259A, SER348D, THR445A, TYR328D
• A-E: ALA283A, ALA303A, ARG302A, ARG635E, ASP273A, ASP295A, ASP296A, ASP448A, GLN297A, GLN638E, GLU281A, GLU453A, GLU456A, GLU639E, HIS630E, HIS634E, ILE299A, ILE632E, LEU276A, LEU279A, LEU292A, LEU294A, LEU300A, LEU301A, LEU375A, LEU451A, LEU455A, LEU633E, LEU636E, LEU637E, LYS284A, LYS631E, MET452A, MET454A, PHE277A, PHE289A, PHE450A, PRO293A, SER290A, THR278A, THR449A, TRP305A, VAL280A, VAL298A
• A-H: ARG686H, ASN257A, ASP263A, ASP444A, GLN270A, GLU685H, HIS687H, PRO258A, PRO261A, PRO446A, SER259A, SER260A, THR266A
• B-C: ARG272B, ASN257C, ASP444C, ASP448C, CYS347B, GLN331B, GLN334B, GLN344B, GLU188B, GLU345B, GLU456C, GLY274B, GLY443C, ILE447C, LEU441C, LYS195B, LYS440C, MET452C, PRO258C, PRO273B, PRO446C, SER259C, SER348B, THR276B, THR445C, THR449C, TYR328B, VAL275B
• B-F: ALA198B, ARG183B, ARG686F, ARG692F, ASP189B, CYS347B, GLN190B, GLN344B, GLN695F, GLU188B, GLU345B, GLU696F, GLY697F, HIS124B, HIS687F, HIS691F, ILE173B, ILE187B, ILE191B, ILE346B, ILE689F, LEU170B, LEU185B, LEU193B, LEU194B, LEU342B, LEU343B, LEU690F, LEU693F, LEU694F, LYS174B, LYS177B, LYS195B, LYS688F, MET340B, PHE182B, PRO186B, PRO341B, SER192B, SER348B, THR166B, THR176B, VAL169B, VAL172B
• B-G: ALA338B, ARG629G, GLN334B, GLU628G, GLY335B, LYS631G
• C-D: ALA266D, ALA289D, ALA303C, ALA310D, ALA317D, ALA325D, ALA344C, ALA391C, ALA398C, ALA402C, ALA416C, ALA424C, ALA457C, ARG272D, ARG278D, ARG306D, ARG320D, ARG348C, ARG393C, ARG414C, ARG421C, ARG426C, ASN227C, ASN323D, ASN377C, ASP271D, ASP279D, ASP282D, ASP305D, ASP379C, GLN235D, GLN283D, GLN285D, GLN293D, GLU200D, GLU237D, GLU240D, GLU286D, GLU287D, GLU307C, GLU318D, GLU324D, GLU352C, GLU390C, GLU394C, GLU401C, GLU434C, GLY196D, GLY274D, GLY314D, GLY413C, HIS244D, ILE322D, ILE373C, ILE428C, LEU241D, LEU242D, LEU252D, LEU290D, LEU308D, LEU312D, LEU313D, LEU315D, LEU316D, LEU319D, LEU353C, LEU383C, LEU400C, LEU418C, LEU419C, LEU420C, LEU422C, LEU425C, LEU430C, LEU433C, LYS297D, LYS311D, LYS356C, LYS381C, LYS395C, LYS405C, LYS417C, LYS431C, MET265D, MET288D, PHE245D, PHE268D, PHE307D, PHE415C, PRO270D, PRO273D, PRO378C, PRO386C, PRO412C, PRO423C, PRO458C, SER269D, SER321D, SER355C, SER380C, SER399C, SER427C, THR248D, THR351C, TYR309D, TYR328D, TYR397C, VAL275D, VAL374C, VAL396C
• C-F: ARG686F, ASP444C, ASP448C, GLN270C, HIS687F, ILE447C, LYS688F, PHE450C, PRO261C, PRO446C, THR266C, THR445C, THR449C
• C-G: ALA283C, ALA303C, ALA457C, ARG302C, ARG629G, ARG635G, ASP273C, ASP295C, ASP296C, ASP448C, GLN297C, GLN638G, GLU281C, GLU453C, GLU456C, GLU628G, GLU639G, HIS630G, HIS634G, ILE299C, ILE632G, LEU276C, LEU279C, LEU292C, LEU294C, LEU300C, LEU301C, LEU375C, LEU451C, LEU455C, LEU633G, LEU636G, LEU637G, LYS284C, LYS631G, MET452C, MET454C, PHE277C, PHE289C, PHE450C, PRO293C, SER290C, THR278C, THR449C, TRP305C, VAL280C, VAL298C
• D-H: ALA198D, ARG183D, ARG686H, ARG692H, ASP189D, CYS347D, GLN171D, GLN190D, GLN344D, GLN695H, GLU188D, GLU345D, GLU685H, GLU696H, GLY274D, HIS687H, HIS691H, ILE173D, ILE187D, ILE191D, ILE346D, ILE689H, LEU170D, LEU193D, LEU194D, LEU342D, LEU343D, LEU690H, LEU693H, LEU694H, LYS174D, LYS177D, LYS195D, LYS688H, MET340D, PHE182D, PRO186D, PRO341D, SER192D, SER348D, THR166D, THR176D, VAL169D