3F9X

structural insights into lysine multiple methylation by set domain methyltransferases, set8-y334f / h4-lys20me2 / adohcy

• Total interactions analyzed: 28
• Total true interactions: 11
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 67
  • Norm. En. per Res.: -4.5381
• Hub Node: A(4)

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	-40.354	-34.0775	-126.061	-200.4925	59	10	1	4769	4	23	23
A-C	-35.4129	-8.6419	-80.7954	-124.8502	52	9	2	3640	1	23	25
A-F	-40.9533	-32.2348	-183.282	-256.4701	62	6	5	6791	2	21	29
A-G	0.0	10.2774	-46.3161	-36.0386	24	1	1	1856	0	12	12
B-E	-57.8376	-42.4414	-203.773	-304.052	67	14	3	7407	1	24	33
B-F	-16.4141	2.102	-27.1359	-41.448	21	1	0	1026	0	6	7
C-D	-47.1891	-18.5884	-118.243	-184.0205	57	7	1	4474	3	22	24
C-G	-28.3006	-40.3607	-158.17	-226.8313	62	3	6	6261	2	23	33
C-H	-9.85	-6.1492	-25.2294	-41.2286	20	3	0	932	0	6	5
D-H	-37.7995	-34.715	-188.842	-261.3565	60	5	5	6944	1	21	29
F-G	0.0	-6.1235	-0.0062	-6.1297	3	0	0	4	0	4	3

Interface residues

• A-B: ALA255A, ALA342A, ARG228B, ARG288B, ARG292B, ARG295B, ARG339A, ASN291B, ASP221B, ASP224B, ASP265B, ASP335A, ASP338A, CYS283A, GLN276A, GLN306A, GLU251A, GLU259A, GLU289B, GLU345A, GLY225B, GLY227B, GLY229B, GLY269B, GLY337A, ILE220B, ILE223B, ILE231B, ILE252A, ILE344A, LEU222B, LEU278A, LEU296B, LYS219B, LYS226B, LYS256A, LYS257A, LYS280A, LYS301A, LYS341A, LYS351A, MET272A, PHE275A, PRO266B, PRO348B, SER267B, SER279A, SER340A, SER343A, THR253A, THR268B, THR281A, THR287B, THR290B, TRP349B, TYR271B, TYR274A, TYR277A, TYR282A
• A-C: ALA255C, ALA342C, ARG228A, ARG288A, ARG292A, ARG295A, ARG339C, ASN291A, ASP221A, ASP224A, ASP265A, ASP335C, ASP338C, CYS283C, GLN276C, GLN306C, GLU251C, GLU259C, GLU289A, GLY225A, GLY227A, GLY337C, ILE220A, ILE223A, ILE231A, ILE252C, ILE344C, LEU222A, LEU278C, LEU293A, LEU296A, LYS226A, LYS256C, LYS280C, LYS301C, LYS341C, LYS351C, PHE275C, PRO266A, PRO348A, SER267A, SER279C, SER340C, THR253C, THR281C, THR290A, THR307C, TRP349A, TYR273C, TYR274C, TYR277C, TYR282C
• A-F: ALA255A, ALA260A, ALA263A, ALA342A, ALA346A, ARG17F, ARG19F, ARG23F, ARG258A, ARG339A, ASN298A, ASP265A, ASP285A, ASP335A, ASP338A, CYS270A, CYS283A, GLN264A, GLN276A, GLN306A, GLU259A, GLU345A, GLY269A, GLY337A, HIS18F, HIS299A, HIS310A, HIS317A, HIS347A, ILE319A, ILE344A, LEU22F, LEU261A, LEU309A, LEU318A, LEU320A, LEU350A, LYS16F, LYS256A, LYS301A, LYS308A, MET272A, PHE275A, PHE334A, PRO266A, PRO316A, SER267A, SER340A, SER343A, THR268A, THR281A, THR287A, THR307A, TRP349A, TYR262A, TYR271A, TYR273A, TYR274A, TYR277A, TYR282A, TYR336A, VAL21F
• A-G: ARG19G, ARG228A, ARG23G, ARG295A, ASP221A, ASP24G, ASP265A, CYS270A, GLU289A, GLY227A, GLY229A, GLY269A, HIS347A, ILE220A, ILE223A, LEU222A, LEU22G, LEU296A, LYS226A, PRO266A, SER267A, THR268A, TYR271A, VAL21G
• B-E: ALA255B, ALA260B, ALA263B, ALA342B, ALA346B, ARG17E, ARG19E, ARG23E, ARG258B, ARG339B, ASN298B, ASP24E, ASP265B, ASP285B, ASP335B, ASP338B, CYS270B, CYS283B, GLN264B, GLN276B, GLN306B, GLU259B, GLU345B, GLY269B, GLY337B, HIS18E, HIS299B, HIS310B, HIS317B, HIS347B, ILE252B, ILE319B, ILE344B, LEU22E, LEU261B, LEU278B, LEU309B, LEU318B, LEU320B, LEU350B, LYS16E, LYS256B, LYS308B, LYS341B, MET272B, PHE275B, PHE334B, PRO266B, PRO316B, SER267B, SER279B, SER340B, SER343B, THR268B, THR281B, THR287B, THR307B, TRP349B, TYR245B, TYR262B, TYR271B, TYR273B, TYR274B, TYR277B, TYR282B, TYR336B, VAL21E
• B-F: ARG19F, ARG228B, ARG23F, ARG295B, ASP221B, ASP265B, CYS270B, GLU289B, GLY227B, GLY229B, GLY269B, ILE220B, ILE223B, LEU222B, LEU22F, PRO266B, SER267B, THR268B, THR287B, TYR271B, VAL21F
• C-D: ALA255D, ALA342D, ARG228C, ARG288C, ARG292C, ARG295C, ARG339D, ASN291C, ASP221C, ASP224C, ASP265C, ASP335D, ASP338D, CYS283D, GLN276D, GLN306D, GLU251D, GLU259D, GLU289C, GLU345D, GLY225C, GLY227C, GLY229C, GLY269C, GLY337D, ILE220C, ILE223C, ILE231C, ILE252D, ILE344D, LEU222C, LEU278D, LEU296C, LYS219C, LYS226C, LYS256D, LYS280D, LYS301D, LYS341D, MET272D, PHE275D, PRO266C, PRO348C, SER267C, SER279D, SER340D, SER343D, THR253D, THR268C, THR281D, THR287C, THR290C, TRP349C, TYR271C, TYR274D, TYR277D, TYR282D
• C-G: ALA255C, ALA260C, ALA263C, ALA342C, ALA346C, ARG17G, ARG19G, ARG23G, ARG258C, ARG339C, ASN298C, ASP24G, ASP265C, ASP285C, ASP335C, ASP338C, CYS270C, CYS283C, GLN264C, GLN276C, GLN306C, GLU259C, GLU345C, GLY269C, GLY337C, HIS18G, HIS299C, HIS310C, HIS317C, HIS347C, ILE252C, ILE319C, ILE344C, LEU22G, LEU261C, LEU309C, LEU318C, LEU350C, LYS16G, LYS256C, LYS308C, LYS341C, MET272C, PHE275C, PHE334C, PRO266C, SER267C, SER340C, SER343C, THR268C, THR281C, THR287C, THR307C, TRP349C, TYR262C, TYR271C, TYR273C, TYR274C, TYR277C, TYR282C, TYR336C, VAL21G
• C-H: ARG19H, ARG228C, ARG23H, ARG295C, ASP221C, ASP265C, GLU289C, GLY227C, GLY229C, GLY269C, ILE220C, ILE223C, LEU222C, LEU22H, PRO266C, SER267C, THR268C, THR287C, TYR271C, VAL21H
• D-H: ALA255D, ALA260D, ALA263D, ALA342D, ALA346D, ARG17H, ARG19H, ARG23H, ARG258D, ARG339D, ASP265D, ASP285D, ASP335D, ASP338D, CYS270D, CYS283D, GLN264D, GLN276D, GLN306D, GLU259D, GLU345D, GLY269D, GLY337D, HIS18H, HIS299D, HIS310D, HIS317D, HIS347D, ILE252D, ILE319D, ILE344D, LEU22H, LEU261D, LEU309D, LEU318D, LEU320D, LEU350D, LYS16H, LYS256D, LYS308D, MET272D, PHE275D, PHE334D, PRO266D, SER267D, SER340D, SER343D, THR268D, THR281D, THR287D, THR307D, TRP349D, TYR262D, TYR271D, TYR273D, TYR274D, TYR277D, TYR282D, TYR336D, VAL21H
• F-G: ARG17F, ASP24G, HIS18F