3L0L

crystal structure of orphan nuclear receptor rorgamma in complex with natural ligand

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 42
  • Norm. En. per Res.: -4.8602
• 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-C	-46.9176	-7.4774	-157.286	-211.681	50	13	5	6682	0	12	16
A-B	-49.0574	26.1995	-185.557	-208.4149	109	15	4	8026	5	57	52
A-E	-2.6047	-5.1946	-39.0073	-46.8065	22	7	3	1855	0	2	4
C-B	-6.3502	-4.2994	-41.4935	-52.1431	21	0	3	1816	0	2	4
B-E	-53.5692	-10.259	-140.301	-204.1292	42	5	4	5817	0	8	9

Interface residues

• A-C: ALA335A, ALA355A, ALA357A, ARG692C, ASN347A, ASP348A, ASP696C, CYS345A, GLN329A, GLN346A, GLN349A, GLN487A, GLN695C, GLU333A, GLU504A, GLU685C, GLY356A, HIS687C, HIS691C, ILE328A, ILE350A, ILE689C, LEU344A, LEU352A, LEU353A, LEU425A, LEU483A, LEU501A, LEU505A, LEU690C, LEU693C, LEU694C, LYS336A, LYS354A, LYS503A, LYS686C, LYS688C, MET342A, PHE341A, PHE506A, PRO499A, PRO500A, SER507A, SER697C, THR325A, TYR502A, VAL331A, VAL332A, VAL351A, VAL494A
• A-B: ALA321A, ALA321B, ALA327A, ALA327B, ALA496A, ALA496B, ALA497A, ALA497B, ARG288A, ARG288B, ARG294A, ARG294B, ARG310A, ARG310B, ARG319A, ARG319B, ASN298A, ASN298B, ASP291A, ASP291B, CYS320A, CYS320B, GLN286A, GLN286B, GLN295A, GLN295B, GLN329A, GLN329B, GLN495A, GLN495B, GLU303A, GLU303B, GLU304A, GLU304B, GLU315A, GLU315B, GLU318A, GLU318B, GLU326A, GLU326B, GLU333A, GLU333B, GLU379A, GLU379B, GLU504A, GLU504B, GLY307A, GLY307B, GLY380A, GLY380B, HIS322A, HIS322B, HIS323A, HIS323B, ILE328A, ILE328B, ILE492A, ILE492B, LEU287A, LEU287B, LEU501A, LEU501B, LYS311A, LYS311B, LYS336A, LYS336B, LYS381A, LYS381B, LYS503A, LYS503B, MET316A, MET316B, PHE300A, PHE300B, PHE377A, PHE377B, PHE378A, PHE378B, PHE498A, PHE498B, PRO499A, PRO499B, PRO500A, PRO500B, SER301A, SER301B, SER312A, SER312B, THR284A, THR306A, THR325A, THR325B, TRP314A, TRP314B, TRP317A, TRP317B, TYR308A, TYR308B, TYR330A, TYR330B, TYR502A, TYR502B, VAL331A, VAL332A, VAL332B, VAL493A, VAL493B, VAL494A, VAL494B
• A-E: ALA496A, ALA497A, ARG692E, ASP696E, GLN495A, GLN695E, GLU318A, HIS490A, HIS691E, ILE492A, ILE689E, LEU489A, LEU690E, LEU693E, LEU694E, LYS503A, LYS688E, PRO491A, PRO500A, SER697E, VAL493A, VAL494A
• C-B: ALA496B, ALA497B, ARG692C, ASP696C, GLN495B, GLN695C, HIS490B, HIS691C, ILE492B, ILE689C, LEU489B, LEU690C, LEU693C, LEU694C, LYS503B, LYS688C, PRO491B, PRO500B, SER697C, VAL493B, VAL494B
• B-E: ALA335B, ALA355B, ALA357B, ARG692E, ASN347B, ASP348B, ASP696E, CYS345B, GLN329B, GLN346B, GLN349B, GLN695E, GLU333B, GLU504B, GLY356B, HIS691E, ILE328B, ILE350B, ILE689E, LEU344B, LEU352B, LEU353B, LEU425B, LEU501B, LEU505B, LEU690E, LEU693E, LEU694E, LYS336B, LYS354B, LYS503B, LYS688E, MET342B, PHE341B, PRO499B, PRO500B, SER697E, THR325B, TYR502B, VAL331B, VAL332B, VAL351B