2P5B

the complex structure of jmjd2a and trimethylated h3k36 peptide

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-I
  • Int. Res.: 75
  • Norm. En. per Res.: -4.5597
• Hub Node: A(3)

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	-8.9988	0.0	-109.75	-118.7488	78	8	6	5089	0	2	5
A-I	-79.6342	-24.6638	-237.676	-341.974	75	22	2	9329	1	13	26
A-J	0.0	0.0	-0.2675	-0.2675	5	0	0	71	0	0	4
B-I	-9.5008	0.0	-36.7238	-46.2246	17	4	1	1496	0	0	6
B-J	-38.3699	-26.9477	-192.576	-257.8936	72	12	1	7716	2	14	25
I-J	0.0	0.0	-10.9157	-10.9157	5	0	0	369	0	0	3

Interface residues

• A-B: ARG309A, ARG309B, ASN124A, ASN124B, ASN128A, ASN128B, ASN86A, ASN86B, CYS308A, GLN232A, GLN232B, GLN72A, GLN72B, GLN73A, GLN73B, GLN78A, GLN78B, GLN84A, GLN84B, GLN88A, GLN88B, GLY229A, GLY229B, GLY77A, GLY77B, ILE131A, ILE131B, ILE87A, ILE87B, LEU125A, LEU125B, LEU74A, LEU74B, LEU81A, LEU81B, LYS105A, LYS105B, LYS123A, LYS123B, LYS182A, LYS182B, LYS310A, LYS310B, LYS89A, LYS89B, LYS90A, LYS90B, MET242A, MET242B, PHE127A, PHE127B, PHE226A, PHE226B, PHE227A, PHE227B, PHE82A, PHE82B, PRO129A, PRO129B, PRO130A, PRO228A, PRO228B, SER230A, SER230B, SER79A, SER79B, THR126A, THR126B, THR76A, THR76B, THR83A, THR83B, TYR106A, TYR106B, TYR85A, TYR85B, VAL75A, VAL75B
• A-I: ALA134A, ALA186A, ALA3I, ALA5I, ALA69A, ARG14I, ARG16I, ARG239A, ARG309A, ASN137A, ASN172A, ASN86A, ASP135A, ASP191A, ASP311A, ASP318A, GLN72A, GLN73A, GLN84A, GLN88A, GLU161A, GLU163A, GLU169A, GLY133A, GLY165A, GLY170A, GLY7I, GLY8I, HIS13I, HIS240A, ILE166A, ILE168A, ILE315A, ILE67A, ILE71A, ILE87A, LEU305A, LEU74A, LYS11I, LYS1I, LYS241A, LYS310A, LYS314A, LYS89A, LYS90A, MET192A, MET242A, MET312A, MET317A, PHE185A, PHE320A, PRO12I, PRO17I, PRO4I, PRO68A, PRO70A, SER164A, SER2I, SER307A, SER316A, THR167A, THR243A, THR6I, THR83A, TYR132A, TYR15I, TYR175A, TYR177A, TYR85A, VAL136A, VAL160A, VAL171A, VAL313A, VAL319A, VAL9I
• A-J: GLN72A, HIS13J, ILE87A, LEU74A, LYS89A
• B-I: ALA69B, ARG14I, ARG16I, ARG309B, ASN86B, GLN72B, GLN88B, HIS13I, ILE71B, ILE87B, LEU74B, LYS89B, LYS90B, MET242B, PRO17I, TYR15I, TYR85B
• B-J: ALA134B, ALA186B, ALA3J, ALA5J, ALA69B, ARG14J, ARG239B, ARG309B, ASN137B, ASN172B, ASN86B, ASP135B, ASP191B, ASP311B, ASP318B, GLN73B, GLN84B, GLN88B, GLU161B, GLU163B, GLU169B, GLY133B, GLY165B, GLY170B, GLY7J, GLY8J, HIS13J, HIS240B, ILE166B, ILE168B, ILE315B, ILE67B, ILE71B, ILE87B, LEU159B, LEU176B, LEU305B, LEU74B, LYS11J, LYS1J, LYS241B, LYS310B, LYS314B, LYS89B, MET192B, MET242B, MET312B, MET317B, PHE185B, PHE320B, PRO12J, PRO4J, PRO68B, PRO70B, SER164B, SER2J, SER316B, THR167B, THR173B, THR6J, THR83B, TRP332B, TYR132B, TYR175B, TYR177B, TYR85B, VAL136B, VAL160B, VAL171B, VAL313B, VAL319B, VAL9J
• I-J: ARG14J, ARG16I, HIS13J, PRO12J, PRO17I