2OS2

crystal structure of jmjd2a complexed with histone h3 peptide trimethylated at lys36

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 66
  • Norm. En. per Res.: -3.9625
• 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	-16.7583	0.0	-80.8403	-97.5986	61	3	0	3500	0	28	26
A-C	-68.6698	-6.3681	-186.488	-261.5258	66	14	3	6782	0	13	21
B-D	-59.5105	-5.7451	-186.599	-251.8546	66	12	4	6894	0	13	21

Interface residues

• A-B: ALA12B, ALA39B, ALA42B, ARG119B, ARG13B, ARG218A, ARG221A, ARG41A, ARG41B, ASN9B, ASP258B, ASP342A, GLN37B, GLN78A, GLU113B, GLU115B, GLU214A, GLY225A, GLY254A, GLY38B, HIS215A, HIS343A, ILE14B, ILE255A, ILE341A, ILE34B, LEU222A, LEU248A, LEU250A, LEU81A, LEU8B, LYS217A, LYS224A, LYS251A, LYS252A, LYS259B, LYS46B, MET15B, MET249A, PHE114B, PHE17B, PHE226A, PHE227A, PHE257A, PRO10B, PRO19B, PRO228A, PRO256A, SER112B, SER11B, SER79A, THR16B, THR261B, THR344A, THR7B, TYR18B, TYR253A, TYR33B, VAL260B, VAL340A, VAL48B
• A-C: ALA134A, ALA186A, ALA69A, ARG239A, ARG309A, ARG40C, ASN137A, ASN172A, ASN86A, ASP135A, ASP191A, ASP311A, ASP318A, GLN72A, GLN73A, GLN84A, GLN88A, GLU161A, GLU163A, GLU169A, GLY133A, GLY170A, GLY33C, GLY34C, HIS240A, HIS39C, ILE166A, ILE168A, ILE315A, ILE67A, ILE71A, ILE87A, LEU157A, LEU305A, LEU74A, LYS241A, LYS310A, LYS314A, LYS37C, LYS89A, MET192A, MET242A, MET312A, MET317A, PHE320A, PRO38C, PRO68A, PRO70A, SER164A, SER316A, SER31C, THR167A, THR173A, THR32C, THR83A, TYR132A, TYR175A, TYR177A, TYR41C, TYR85A, VAL136A, VAL160A, VAL171A, VAL313A, VAL319A, VAL35C
• B-D: ALA134B, ALA186B, ALA69B, ARG239B, ARG309B, ARG40D, ASN137B, ASN172B, ASN86B, ASP135B, ASP191B, ASP311B, ASP318B, GLN72B, GLN73B, GLN84B, GLN88B, GLU161B, GLU163B, GLU169B, GLY133B, GLY165B, GLY170B, GLY33D, GLY34D, HIS240B, HIS39D, ILE166B, ILE168B, ILE315B, ILE67B, ILE71B, ILE87B, LEU157B, LEU74B, LYS241B, LYS310B, LYS314B, LYS37D, LYS89B, MET192B, MET242B, MET312B, MET317B, PHE320B, PRO38D, PRO68B, PRO70B, SER164B, SER316B, SER31D, THR167B, THR173B, THR32D, THR83B, TYR132B, TYR175B, TYR177B, TYR41D, TYR85B, VAL136B, VAL160B, VAL171B, VAL313B, VAL319B, VAL35D