2Q8C

crystal structure of jmjd2a in ternary complex with an histone h3k9me3 peptide and 2-oxoglutarate

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-G
  • Int. Res.: 50
  • Norm. En. per Res.: -2.6276
• 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	-18.2729	21.6527	-90.18	-86.8002	63	3	0	3854	0	32	28
A-F	-4.0028	-31.2456	-47.0143	-82.2627	32	0	1	1922	1	6	6
B-G	-36.5403	0.0	-94.8403	-131.3806	50	8	2	3628	0	6	6

Interface residues

• A-B: ALA12B, ALA223A, ALA39B, ALA42B, ARG110B, ARG119B, ARG13B, ARG218A, ARG221A, ARG41A, ASP258B, ASP342A, GLN37B, GLU113B, GLU115B, GLU116B, GLU214A, GLU220A, GLU6A, GLY225A, GLY254A, GLY38B, HIS215A, HIS343A, ILE14B, ILE255A, ILE341A, ILE34B, LEU219A, LEU222A, LEU248A, LEU250A, LEU345A, LYS217A, LYS224A, LYS251A, LYS251B, LYS252A, LYS259B, LYS46B, MET15B, MET249A, PHE114B, PHE17B, PHE226A, PHE257A, PHE257B, PRO256B, SER112B, SER36B, SER3A, SER5A, SER79A, THR16B, THR261B, THR344A, TYR111B, TYR18B, TYR253A, TYR33B, VAL260B, VAL340A, VAL48B
• A-F: ALA134A, ALA69A, ALA7F, ARG239A, ARG309A, ARG8F, ASN137A, ASN172A, ASN86A, ASP135A, ASP191A, ASP311A, GLN88A, GLU169A, GLY170A, HIS240A, ILE166A, ILE168A, ILE315A, ILE71A, LYS241A, LYS310A, LYS314A, MET312A, SER10F, THR167A, THR173A, TYR175A, TYR177A, VAL136A, VAL171A, VAL313A
• B-G: ALA134B, ALA186B, ALA69B, ALA7G, ARG239B, ARG309B, ARG8G, ASN137B, ASN172B, ASN290B, ASN86B, ASP135B, ASP191B, ASP311B, GLN73B, GLN84B, GLU169B, GLY12G, GLY13G, GLY170B, HIS188B, HIS240B, ILE166B, ILE168B, ILE315B, ILE71B, ILE87B, LEU74B, LYS241B, LYS310B, LYS314B, MET242B, MET312B, PHE185B, PRO68B, SER10G, SER184B, THR11G, THR167B, THR173B, THR243B, THR6G, THR83B, TYR132B, TYR175B, TYR177B, TYR85B, VAL136B, VAL171B, VAL313B