1PEG

structural basis for the product specificity of histone lysine methyltransferases

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-P
  • Int. Res.: 59
  • Norm. En. per Res.: -4.3521
• 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-P	-55.3503	-33.2319	-168.193	-256.7752	59	22	1	6683	2	20	17
A-B	-14.9703	-18.392	-115.935	-149.2973	64	16	2	4938	1	8	13
B-Q	-47.1342	-29.5865	-162.597	-239.3178	57	9	1	5965	0	20	17

Interface residues

• A-P: ALA188A, ALA193A, ALA207A, ALA249A, ALA252A, ALA266A, ALA7P, ARG192A, ARG238A, ARG8P, ASN241A, ASN285A, ASP189A, ASP202A, ASP209A, ASP229A, ASP282A, GLN122A, GLU227A, GLY12P, GLY13P, GLY230A, HIS242A, HIS263A, ILE183A, ILE240A, ILE250A, LEU205A, LEU208A, LEU226A, LEU265A, LEU267A, LEU317A, LYS201A, LYS210A, LYS9P, PHE206A, PHE211A, PHE239A, PHE251A, PHE281A, PRO124A, PRO225A, SER10P, SER185A, SER195A, SER212A, SER234A, THR11P, THR184A, THR196A, THR237A, TRP318A, TYR178A, TYR204A, TYR283A, VAL203A, VAL228A, VAL284A
• A-B: ALA37A, ALA37B, ARG147A, ARG147B, ARG33A, ARG44A, ARG44B, ASN32A, ASN32B, ASN40A, ASN40B, ASN42A, ASN42B, ASP176B, ASP35A, ASP36A, ASP47A, ASP47B, GLN152B, GLY235A, GLY235B, HIS48B, ILE153A, ILE153B, ILE28A, ILE28B, ILE30A, ILE30B, ILE46A, ILE46B, ILE50A, ILE50B, LEU151B, LEU179B, LEU26B, LEU39A, LEU39B, LYS136B, LYS53A, MET233A, PHE239A, PHE239B, PHE38A, PHE38B, PHE43A, PHE43B, PHE45A, PHE45B, PRO150B, PRO236A, PRO236B, PRO27A, PRO27B, PRO41A, PRO41B, SER234A, SER234B, SER29A, SER29B, TRP161A, TRP161B, TYR232A, VAL31A, VAL31B
• B-Q: ALA188B, ALA207B, ALA249B, ALA252B, ALA266B, ALA7Q, ARG192B, ARG238B, ARG253B, ARG8Q, ASN241B, ASN285B, ASP189B, ASP202B, ASP209B, ASP229B, ASP264B, ASP282B, GLN122B, GLU227B, GLU231B, GLY230B, GLY286B, HIS242B, HIS263B, ILE240B, ILE250B, LEU205B, LEU208B, LEU226B, LEU265B, LEU267B, LEU317B, LYS201B, LYS210B, LYS9Q, PHE206B, PHE211B, PHE239B, PHE251B, PHE281B, PRO124B, SER10Q, SER185B, SER212B, SER234B, THR11Q, THR196B, THR237B, THR304B, TRP318B, TYR178B, TYR204B, TYR283B, VAL203B, VAL228B, VAL284B