1XDK

crystal structure of the rarbeta/rxralpha ligand binding domain heterodimer in complex with 9-cis retinoic acid and a fragment of the trap220 coactivator

• Total interactions analyzed: 28
• Total true interactions: 9
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 81
  • Norm. En. per Res.: -3.9994
• Hub Node: A(3)

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	-45.2143	-121.9394	-263.932	-431.0857	122	22	4	11711	12	60	47
A-C	-8.8441	9.9118	-164.231	-163.1633	48	14	7	6511	0	12	4
A-F	0.0	-8.9284	-36.2969	-45.2253	35	4	0	1693	0	11	12
B-D	-32.7256	-6.3189	-106.646	-145.6904	45	24	5	5751	1	9	3
B-E	0.0	-8.8815	-36.7811	-45.6626	35	4	0	1703	0	11	12
B-F	-34.2335	-5.4606	-284.254	-323.9482	81	24	6	9604	0	16	17
E-F	-44.0421	-122.0786	-262.121	-428.2418	120	22	4	11712	12	60	47
E-G	-8.8621	9.6902	-163.857	-163.0289	48	13	7	6507	0	12	4
F-H	-33.0882	-6.8726	-109.7	-149.6607	45	24	5	5738	1	9	3

Interface residues

• A-B: ALA342A, ALA345A, ALA349A, ALA382B, ALA396A, ALA403A, ALA421A, ALA429A, ARG332B, ARG353A, ARG357B, ARG378B, ARG398A, ARG419A, ARG426A, ARG431A, ASN340A, ASN382A, ASP331B, ASP342B, ASP352A, ASP364A, ASP376B, ASP384A, CYS326B, CYS329B, GLN308B, GLN333B, GLN345B, GLN416A, GLU312A, GLU346B, GLU350B, GLU357A, GLU386B, GLU395A, GLU399A, GLU406A, GLU411B, GLU414B, GLU439A, GLY330B, GLY346A, GLY348A, GLY412B, GLY418A, HIS343A, HIS365B, HIS413B, HIS440A, ILE325B, ILE328B, ILE350A, ILE354B, ILE370B, ILE374B, ILE378A, ILE380B, ILE433A, ILE447A, LEU312B, LEU322B, LEU335B, LEU348B, LEU349B, LEU352B, LEU358A, LEU371B, LEU375A, LEU377B, LEU405A, LEU416B, LEU423A, LEU424A, LEU425A, LEU427A, LEU430A, LEU435A, LEU438A, LEU441A, LYS343B, LYS353B, LYS361A, LYS369B, LYS373B, LYS383B, LYS400A, LYS410A, LYS422A, LYS436A, MET366B, MET372B, PHE351A, PHE367B, PHE420A, PHE443A, PHE444A, PRO311B, PRO338B, PRO347B, PRO364B, PRO368B, PRO383A, PRO415B, PRO417A, PRO418B, PRO428A, SER344A, SER379B, SER381B, SER385A, SER432A, THR304B, THR339B, THR356A, THR375B, THR417B, TYR402A, VAL270A, VAL347A, VAL379A, VAL401A
• A-C: ALA288A, ALA308A, ALA462A, ARG290A, ARG307A, ASN641C, ASN647C, ASP278A, ASP300A, ASP301A, ASP453A, ASP651C, GLN302A, GLU286A, GLU458A, GLU461A, HIS642C, ILE304A, LEU281A, LEU284A, LEU297A, LEU299A, LEU305A, LEU306A, LEU380A, LEU456A, LEU460A, LEU645C, LEU648C, LEU649C, LYS289A, LYS650C, MET457A, MET459A, MET644C, MET646C, PHE282A, PHE294A, PHE455A, PRO298A, PRO463A, PRO643C, SER295A, THR283A, THR454A, TRP310A, VAL285A, VAL303A
• A-F: ALA345A, ARG210F, ARG212F, ARG387F, ASN292F, ASP208F, ASP214F, ASP268A, ASP449A, GLU394F, GLU439A, GLY296F, GLY346A, GLY448A, HIS209F, HIS291F, HIS440A, ILE447A, LEU213F, LEU215F, LEU441A, LEU446A, LYS436A, PHE442A, PHE443A, PHE444A, PRO269A, PRO297F, SER344A, THR271A, THR288F, THR450A, VAL211F, VAL270A, VAL347A
• B-D: ALA236B, ALA248B, ASN409B, ASN647D, ASP249B, ASP651D, CYS258B, GLN250B, GLN404B, GLU234B, GLU405B, GLU408B, HIS642D, ILE229B, ILE230B, ILE232B, ILE247B, ILE251B, ILE403B, LEU245B, LEU253B, LEU254B, LEU327B, LEU402B, LEU407B, LEU645D, LEU648D, LEU649D, LYS231B, LYS237B, LYS255B, LYS650D, MET399B, MET406B, MET644D, MET646D, PHE242B, PRO400B, PRO401B, PRO643D, THR226B, THR243B, THR246B, THR252B, VAL233B
• B-E: ALA345E, ARG210B, ARG212B, ARG387B, ASN292B, ASP208B, ASP214B, ASP268E, ASP449E, GLU394B, GLU439E, GLY296B, GLY346E, GLY448E, HIS209B, HIS291B, HIS440E, ILE447E, LEU213B, LEU215B, LEU441E, LEU446E, LYS436E, PHE442E, PHE443E, PHE444E, PRO269E, PRO297B, SER344E, THR271E, THR288B, THR450E, VAL211B, VAL270E, VAL347E
• B-F: ALA385B, ALA385F, ARG210B, ARG210F, ARG212B, ARG212F, ASN292B, ASN292F, ASN409B, ASN409F, ASP214B, ASP214F, ASP219B, ASP219F, GLU386B, GLU386F, GLU394B, GLU394F, GLU408B, GLU408F, GLU411B, GLU411F, GLU414B, GLU414F, GLY216B, GLY216F, GLY397B, GLY397F, GLY412B, GLY412F, HIS209F, HIS291B, HIS291F, HIS413B, HIS413F, ILE389B, ILE389F, ILE395B, ILE395F, LEU213B, LEU213F, LEU215B, LEU215F, LEU217B, LEU217F, LEU391B, LEU391F, LEU407B, LEU407F, LEU416B, LEU416F, LYS220B, LYS220F, LYS392B, LYS392F, MET393B, MET393F, PRO396B, PRO396F, PRO415B, PRO415F, PRO418B, PRO418F, SER205B, SER205F, SER206B, SER206F, SER410B, SER410F, SER419B, SER419F, THR390B, THR390F, THR417B, THR417F, TRP218B, TRP218F, VAL211B, VAL211F, VAL388B, VAL388F
• E-F: ALA342E, ALA345E, ALA349E, ALA382F, ALA396E, ALA403E, ALA421E, ALA429E, ARG332F, ARG353E, ARG357F, ARG378F, ARG398E, ARG419E, ARG426E, ARG431E, ASN340E, ASN382E, ASP331F, ASP342F, ASP352E, ASP364E, ASP376F, ASP384E, CYS326F, CYS329F, GLN308F, GLN333F, GLN345F, GLN416E, GLU312E, GLU346F, GLU350F, GLU357E, GLU386F, GLU395E, GLU399E, GLU406E, GLU411F, GLU414F, GLU439E, GLY330F, GLY346E, GLY348E, GLY412F, GLY418E, HIS343E, HIS365F, HIS413F, HIS440E, ILE325F, ILE328F, ILE350E, ILE354F, ILE374F, ILE378E, ILE380F, ILE433E, ILE447E, LEU312F, LEU322F, LEU335F, LEU348F, LEU349F, LEU352F, LEU358E, LEU371F, LEU375E, LEU377F, LEU405E, LEU416F, LEU423E, LEU424E, LEU425E, LEU427E, LEU430E, LEU435E, LEU438E, LEU441E, LYS343F, LYS353F, LYS361E, LYS369F, LYS373F, LYS383F, LYS400E, LYS410E, LYS422E, LYS436E, MET366F, MET372F, PHE351E, PHE367F, PHE420E, PHE443E, PHE444E, PRO311F, PRO338F, PRO347F, PRO364F, PRO368F, PRO383E, PRO415F, PRO417E, PRO418F, PRO428E, SER344E, SER379F, SER385E, SER432E, THR304F, THR339F, THR356E, THR375F, THR417F, TYR402E, VAL270E, VAL347E, VAL379E, VAL401E
• E-G: ALA288E, ALA308E, ALA462E, ARG290E, ARG307E, ASN641G, ASN647G, ASP278E, ASP300E, ASP301E, ASP453E, ASP651G, GLN302E, GLU286E, GLU458E, GLU461E, HIS642G, ILE304E, LEU281E, LEU284E, LEU297E, LEU299E, LEU305E, LEU306E, LEU380E, LEU456E, LEU460E, LEU645G, LEU648G, LEU649G, LYS289E, LYS650G, MET457E, MET459E, MET644G, MET646G, PHE282E, PHE294E, PHE455E, PRO298E, PRO463E, PRO643G, SER295E, THR283E, THR454E, TRP310E, VAL285E, VAL303E
• F-H: ALA236F, ALA248F, ASN409F, ASN647H, ASP249F, ASP651H, CYS258F, GLN250F, GLN404F, GLU234F, GLU405F, GLU408F, HIS642H, ILE229F, ILE230F, ILE232F, ILE247F, ILE251F, ILE403F, LEU245F, LEU253F, LEU254F, LEU327F, LEU402F, LEU407F, LEU645H, LEU648H, LEU649H, LYS231F, LYS237F, LYS255F, LYS650H, MET399F, MET406F, MET644H, MET646H, PHE242F, PRO400F, PRO401F, PRO643H, THR226F, THR243F, THR246F, THR252F, VAL233F