3FAL

humanrxr alpha & mouse lxr alpha complexed with retenoic acid and gsk2186

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 96
  • Norm. En. per Res.: -3.0536
• Hub Node: A(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
A-B	-35.356	-68.3823	-189.407	-293.1453	96	9	7	9280	6	37	37
A-D	-45.5262	3.842	-255.281	-296.9653	110	17	9	11394	4	29	22
B-C	-56.2453	-14.0997	-244.313	-314.658	106	14	10	11200	5	31	21
C-D	-39.0922	-65.5994	-187.937	-292.6286	98	11	8	9306	4	37	36

Interface residues

• A-B: ALA343B, ALA344A, ALA365B, ALA391A, ALA398A, ALA416A, ALA424A, ARG348A, ARG367B, ARG393A, ARG404B, ARG413B, ARG414A, ARG421A, ARG426A, ASN369B, ASN377A, ASP347A, ASP359A, ASP366B, ASP379A, GLN373B, GLN380B, GLU294B, GLU307A, GLU339B, GLU346B, GLU352A, GLU377B, GLU385B, GLU390A, GLU394A, GLU401A, GLU421B, GLY413A, GLY429A, HIS381B, HIS388B, ILE360B, ILE373A, ILE428A, LEU347B, LEU357B, LEU370A, LEU374B, LEU387B, LEU400A, LEU400B, LEU406B, LEU409B, LEU412B, LEU415B, LEU418A, LEU419A, LEU420A, LEU422A, LEU425A, LEU430A, LYS356A, LYS395A, LYS405A, LYS408B, LYS417A, LYS431A, MET401B, MET405B, MET407B, PHE340B, PHE363B, PHE402B, PHE415A, PRO202B, PRO336B, PRO368B, PRO378A, PRO399B, PRO403B, PRO412A, PRO423A, SER361B, SER364B, SER399A, SER411B, SER416B, SER417B, SER420B, SER427A, THR290B, THR351A, THR414B, TYR397A, VAL374A, VAL384B, VAL396A, VAL410B, VAL418B
• A-D: ALA247D, ALA270D, ALA272A, ALA283A, ALA286D, ALA292D, ALA303A, ALA325D, ALA425D, ALA458A, ARG245D, ARG248D, ARG251D, ARG281D, ARG302A, ARG427D, ASN306A, ASP241D, ASP268D, ASP273A, ASP283D, ASP295A, ASP296A, ASP430D, ASP442D, CYS269A, GLN243D, GLN249D, GLN264D, GLN275A, GLN284D, GLN297A, GLN330D, GLN422D, GLN429D, GLU246D, GLU265D, GLU281A, GLU282D, GLU291A, GLU332D, GLU421D, GLU439D, GLU454A, GLU457A, GLY304A, GLY328D, GLY382A, ILE260D, ILE266D, ILE285D, ILE299A, ILE440D, LEU276A, LEU277D, LEU279A, LEU287D, LEU288D, LEU292A, LEU294A, LEU300A, LEU301A, LEU308A, LEU309A, LEU329D, LEU426D, LEU428D, LEU433A, LEU433D, LEU436D, LEU437D, LEU452A, LEU456A, LYS271D, LYS274A, LYS284A, LYS289D, LYS326D, LYS381A, LYS431D, LYS432D, MET453A, MET455A, PHE276D, PHE277A, PHE289A, PHE333D, PHE424D, PHE451A, PRO242D, PRO293A, PRO434D, PRO435D, SER244D, SER280D, SER290A, SER291D, SER438D, THR278A, THR290D, THR450A, TRP305A, VAL261D, VAL263D, VAL267D, VAL280A, VAL298A, VAL331D, VAL423D, VAL443D
• B-C: ALA247B, ALA270B, ALA272C, ALA283C, ALA286B, ALA292B, ALA303C, ALA325B, ALA425B, ALA458C, ARG245B, ARG248B, ARG251B, ARG281B, ARG302C, ARG427B, ASN306C, ASP268B, ASP273C, ASP283B, ASP295C, ASP296C, ASP430B, ASP442B, CYS269C, GLN243B, GLN249B, GLN264B, GLN275C, GLN284B, GLN297C, GLN330B, GLN422B, GLN429B, GLU246B, GLU265B, GLU281C, GLU282B, GLU291C, GLU332B, GLU421B, GLU439B, GLU454C, GLU457C, GLY304C, GLY328B, GLY382C, ILE260B, ILE266B, ILE285B, ILE299C, ILE440B, LEU276C, LEU277B, LEU279C, LEU287B, LEU288B, LEU292C, LEU294C, LEU301C, LEU308C, LEU309C, LEU329B, LEU426B, LEU428B, LEU433C, LEU436B, LEU437B, LEU452C, LEU456C, LYS271B, LYS274C, LYS284C, LYS289B, LYS326B, LYS381C, LYS431B, LYS432B, MET453C, MET455C, PHE276B, PHE277C, PHE289C, PHE333B, PHE424B, PHE451C, PRO242B, PRO293C, PRO435B, SER244B, SER262B, SER280B, SER290C, SER384C, SER438B, THR278C, THR290B, THR450C, TRP305C, VAL261B, VAL263B, VAL267B, VAL280C, VAL298C, VAL331B, VAL423B
• C-D: ALA226C, ALA343D, ALA344C, ALA365D, ALA391C, ALA398C, ALA416C, ALA424C, ARG348C, ARG367D, ARG393C, ARG404D, ARG413D, ARG414C, ARG421C, ARG426C, ASN335D, ASN369D, ASN377C, ASP347C, ASP366D, ASP379C, GLN373D, GLN380D, GLU294D, GLU307C, GLU332D, GLU339D, GLU352C, GLU377D, GLU385D, GLU390C, GLU394C, GLU401C, GLU421D, GLY413C, HIS381D, HIS388D, ILE360D, ILE373C, ILE428C, LEU347D, LEU357D, LEU370C, LEU374D, LEU387D, LEU400C, LEU400D, LEU406D, LEU409D, LEU412D, LEU415D, LEU418C, LEU419C, LEU420C, LEU422C, LEU425C, LEU430C, LYS356C, LYS381C, LYS395C, LYS405C, LYS408D, LYS417C, LYS431C, MET401D, MET405D, MET407D, PHE340D, PHE376C, PHE402D, PHE415C, PRO336D, PRO368D, PRO378C, PRO399D, PRO403D, PRO412C, PRO423C, SER361D, SER364D, SER392D, SER399C, SER411D, SER416D, SER417D, SER427C, THR290D, THR351C, THR414D, TYR383D, TYR397C, VAL370D, VAL374C, VAL384D, VAL396C, VAL410D, VAL418D