2Y1X

crystal structure of coactivator associated arginine methyltransferase 1 (carm1) in complex with sinefungin and indole inhibitor

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 174
  • Norm. En. per Res.: -3.209
• 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	0.0	0.0	-27.5925	-27.5925	24	1	0	1198	0	4	2
A-C	-100.7312	3.1363	-460.764	-558.3589	174	14	20	17396	0	14	14
B-C	-18.9697	0.0	-125.3	-144.2697	78	17	0	5511	0	8	7
B-D	-78.6938	-2.0697	-466.69	-547.4534	179	20	19	17893	0	15	14
C-D	0.0	0.0	-30.0995	-30.0995	23	1	0	1168	0	4	2

Interface residues

• A-B: ALA429B, ALA431B, ARG175A, ASP166A, ASP433B, ASP458B, GLN165A, GLN174A, GLN179A, GLN205A, GLN459B, GLY171A, GLY461B, LEU178A, LYS430B, PHE202A, PHE428B, PRO412A, SER462B, THR170A, THR460B, TYR167A, VAL168A, VAL457B
• A-C: ALA204A, ALA204C, ALA223A, ALA223C, ALA311A, ALA311C, ALA326A, ALA326C, ALA330A, ALA330C, ALA331A, ALA331C, ARG169A, ARG169C, ARG175A, ARG175C, ARG328A, ARG328C, ARG337A, ARG337C, ARG446A, ARG446C, ASN162A, ASN162C, ASN230A, ASN230C, ASN231A, ASN231C, ASN312A, ASN312C, ASN472A, ASN472C, ASP166A, ASP166C, ASP323A, ASP323C, ASP333A, ASP333C, ASP469A, ASP469C, GLN149A, GLN149C, GLN152A, GLN152C, GLN159A, GLN159C, GLN160A, GLN160C, GLN161A, GLN161C, GLN165A, GLN165C, GLN174A, GLN174C, GLN205A, GLN205C, GLN221A, GLN221C, GLN316A, GLN316C, GLN338A, GLN338C, GLU143A, GLU143C, GLU144A, GLU144C, GLU224A, GLU224C, GLU334A, GLU334C, GLY155A, GLY155C, GLY171A, GLY171C, GLY195A, GLY195C, GLY197A, GLY197C, GLY321A, GLY321C, GLY329A, GLY329C, HIS222A, HIS222C, HIS320A, HIS320C, ILE198A, ILE198C, ILE236A, ILE236C, LEU157A, LEU157C, LEU178A, LEU178C, LEU199A, LEU199C, LEU226A, LEU226C, LEU232A, LEU232C, LEU324A, LEU324C, LEU327A, LEU327C, LYS228A, LYS228C, LYS310A, LYS310C, LYS471A, LYS471C, MET163A, MET163C, MET164A, MET164C, MET219A, MET219C, PHE153A, PHE201A, PHE201C, PHE202A, PHE202C, PHE313A, PHE313C, PHE319A, PHE319C, PHE474A, PRO317A, PRO317C, SER145A, SER145C, SER146A, SER146C, SER158A, SER158C, SER196A, SER196C, SER200A, SER200C, SER229A, SER229C, SER318A, SER318C, SER325A, SER325C, THR170A, THR170C, THR172A, THR172C, THR309A, THR309C, TRP314A, TRP314C, TYR150A, TYR156A, TYR156C, TYR167A, TYR167C, TYR173A, TYR173C, TYR315C, TYR335A, TYR335C, VAL148A, VAL148C, VAL168A, VAL168C, VAL225A, VAL225C, VAL227A, VAL227C, VAL322A, VAL322C, VAL332A, VAL332C
• B-C: ALA311C, ALA455B, ALA455C, ARG328B, ARG328C, ASN312B, ASN312C, ASP333B, GLN316B, GLN316C, GLN424B, GLN424C, GLN456B, GLN456C, GLN459B, GLN459C, GLU301B, GLU301C, GLY321B, GLY321C, GLY329B, GLY329C, GLY461B, GLY461C, HIS320B, HIS320C, LEU384B, LEU384C, LEU427B, LEU427C, LYS430B, LYS430C, LYS463B, LYS463C, MET305B, MET305C, PHE308B, PHE308C, PHE313B, PHE313C, PHE319B, PHE319C, PHE336B, PHE336C, PHE423B, PHE423C, PHE428B, PHE428C, PRO317B, PRO317C, PRO426B, PRO426C, SER318B, SER318C, SER325B, SER325C, SER425B, SER425C, SER462B, SER462C, SER464B, SER464C, SER465B, SER465C, THR309B, THR309C, THR460B, THR460C, TYR304B, TYR304C, TYR315B, TYR315C, VAL322B, VAL322C, VAL332B, VAL332C, VAL457B, VAL457C
• B-D: ALA147D, ALA204B, ALA204D, ALA223B, ALA223D, ALA311B, ALA311D, ALA326B, ALA326D, ALA330B, ALA330D, ALA331B, ALA331D, ARG169B, ARG169D, ARG175B, ARG175D, ARG328B, ARG328D, ARG337B, ARG337D, ARG446B, ARG446D, ASN162B, ASN162D, ASN230B, ASN230D, ASN231B, ASN231D, ASN312B, ASN312D, ASN472B, ASN472D, ASP166B, ASP166D, ASP323B, ASP323D, ASP333B, ASP333D, ASP469B, ASP469D, GLN149B, GLN149D, GLN152B, GLN152D, GLN159B, GLN159D, GLN160B, GLN160D, GLN161B, GLN161D, GLN165B, GLN165D, GLN174B, GLN174D, GLN205B, GLN205D, GLN221B, GLN221D, GLN307B, GLN316B, GLN316D, GLN338B, GLN338D, GLU143B, GLU143D, GLU144B, GLU144D, GLU224B, GLU224D, GLU334B, GLU334D, GLY155B, GLY155D, GLY171B, GLY171D, GLY195B, GLY195D, GLY197B, GLY197D, GLY321B, GLY321D, GLY329B, GLY329D, HIS222B, HIS222D, HIS320B, HIS320D, ILE198B, ILE198D, ILE236B, ILE236D, LEU157B, LEU157D, LEU178B, LEU178D, LEU199B, LEU199D, LEU226B, LEU226D, LEU232B, LEU232D, LEU324B, LEU324D, LEU327B, LEU327D, LYS228B, LYS228D, LYS310B, LYS310D, LYS471B, LYS471D, MET163B, MET163D, MET164B, MET164D, MET219B, MET219D, PHE153B, PHE153D, PHE201B, PHE201D, PHE202B, PHE202D, PHE313B, PHE313D, PHE319B, PHE319D, PHE474D, PRO317B, PRO317D, PRO473B, SER145B, SER145D, SER146B, SER146D, SER158B, SER158D, SER196B, SER196D, SER200B, SER200D, SER229B, SER229D, SER318B, SER318D, SER325B, SER325D, THR170B, THR170D, THR172B, THR172D, THR309B, THR309D, TRP314B, TRP314D, TYR150D, TYR156B, TYR156D, TYR167B, TYR167D, TYR173B, TYR173D, TYR315B, TYR315D, TYR335B, TYR335D, VAL148B, VAL148D, VAL168B, VAL168D, VAL225B, VAL225D, VAL227B, VAL227D, VAL322B, VAL322D, VAL332B, VAL332D
• C-D: ALA429C, ARG175D, ASP166D, ASP433C, ASP458C, GLN165D, GLN174D, GLN179D, GLN205D, GLN459C, GLY171D, GLY461C, LEU178D, LYS430C, PHE202D, PHE428C, PRO412D, SER462C, THR170D, THR460C, TYR167D, VAL168D, VAL457C