2OT7

crystal structure of jmjd2a complexed with histone h3 peptide monomethylated at lys9

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 53
  • Norm. En. per Res.: -3.6395
• 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	-12.2983	0.0	-68.1461	-80.4444	61	1	0	3210	0	27	25
A-C	-40.0167	-37.7537	-115.124	-192.8944	53	16	1	4287	1	6	6
B-D	-33.5185	-28.5333	-102.463	-164.5148	51	10	2	4150	0	6	6

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, LEU345A, LEU81A, LEU8B, LYS224A, LYS251A, LYS252A, LYS259B, LYS46B, MET15B, MET249A, PHE114B, PHE17B, PHE226A, PHE227A, PHE257A, PHE257B, PRO10B, PRO228A, PRO256A, SER112B, SER11B, SER79A, THR16B, THR261B, THR344A, THR7B, TYR18B, TYR253A, TYR33B, VAL260B, VAL340A, VAL48B
• A-C: ALA134A, ALA186A, ALA69A, ALA7C, ARG239A, ARG309A, ARG8C, ASN137A, ASN172A, ASN86A, ASP135A, ASP191A, ASP311A, GLN73A, GLN84A, GLN88A, GLU169A, GLY12C, GLY133A, GLY13C, GLY170A, HIS188A, HIS240A, ILE166A, ILE168A, ILE71A, ILE87A, LEU238A, LEU74A, LYS241A, LYS310A, LYS314A, MET242A, MET312A, PHE185A, PRO174A, PRO68A, PRO70A, SER10C, SER184A, THR11C, THR167A, THR173A, THR183A, THR243A, THR83A, TYR132A, TYR175A, TYR177A, TYR85A, VAL136A, VAL171A, VAL313A
• B-D: ALA134B, ALA186B, ALA69B, ALA7D, ARG239B, ARG309B, ARG8D, ASN137B, ASN172B, ASN86B, ASP135B, ASP191B, ASP311B, GLN73B, GLN84B, GLN88B, GLU169B, GLY12D, GLY133B, GLY13D, GLY170B, HIS188B, HIS240B, ILE166B, ILE168B, ILE71B, ILE87B, LEU238B, LEU74B, LYS241B, LYS310B, LYS314B, MET242B, MET312B, PHE185B, PRO68B, PRO70B, SER10D, SER184B, THR11D, THR167B, THR173B, THR243B, THR83B, TYR132B, TYR175B, TYR177B, TYR85B, VAL136B, VAL171B, VAL313B