3MU6

inhibiting the binding of class iia histone deacetylases to myocyte enhancer factor-2 by small molecules

• Total interactions analyzed: 28
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 130
  • Norm. En. per Res.: -5.9128
• Hub Node: A(1)

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	-104.3064	-83.3662	-580.992	-768.6646	130	26	24	23675	5	39	20
B-D	0.0	0.0	-7.5958	-7.5958	3	2	0	189	0	2	3
C-D	-98.5898	-82.8807	-583.516	-764.9865	130	27	24	23710	6	39	20

Interface residues

• A-B: ALA32A, ALA32B, ALA44A, ALA44B, ALA58A, ALA58B, ALA71A, ALA71B, ARG10A, ARG10B, ARG17A, ARG17B, ARG24A, ARG24B, ASN16A, ASN16B, ASN49A, ASN49B, ASN52A, ASN52B, ASP13A, ASP40A, ASP40B, ASP61B, ASP63A, ASP63B, CYS39A, CYS39B, CYS41A, CYS41B, GLN18A, GLN18B, GLN56A, GLN56B, GLN7A, GLN7B, GLU14A, GLU14B, GLU34A, GLU34B, GLU42A, GLU42B, GLY27A, GLY27B, ILE11A, ILE11B, ILE43A, ILE43B, ILE46A, ILE46B, ILE47A, ILE47B, ILE6A, ILE6B, ILE8A, ILE8B, LEU28A, LEU28B, LEU35A, LEU35B, LEU38A, LEU38B, LEU45A, LEU45B, LEU54A, LEU54B, LEU66A, LEU66B, LEU67A, LEU67B, LYS23A, LYS23B, LYS25A, LYS25B, LYS30A, LYS30B, LYS31A, LYS31B, LYS53A, LYS53B, LYS5A, LYS5B, LYS64A, LYS64B, LYS68A, LYS68B, MET12A, MET12B, MET29A, MET29B, MET62A, MET62B, PHE21A, PHE21B, PHE26A, PHE26B, PHE48A, PHE48B, PHE55A, PHE55B, SER36A, SER36B, SER50A, SER50B, SER51A, SER51B, SER59A, SER59B, THR20A, THR20B, THR22A, THR22B, THR70A, THR70B, THR9A, THR9B, TYR33A, TYR33B, TYR57A, TYR57B, TYR69A, TYR69B, TYR72A, TYR72B, VAL19A, VAL19B, VAL37A, VAL37B, VAL65A, VAL65B
• B-D: ARG15D, LYS30B, PHE26B
• C-D: ALA32C, ALA32D, ALA44C, ALA44D, ALA58C, ALA58D, ALA71C, ALA71D, ARG10C, ARG10D, ARG17C, ARG17D, ARG24C, ARG24D, ASN16C, ASN16D, ASN49C, ASN49D, ASN52C, ASN52D, ASP40C, ASP40D, ASP61C, ASP61D, ASP63C, ASP63D, CYS39C, CYS39D, CYS41C, CYS41D, GLN18C, GLN18D, GLN56C, GLN56D, GLN7C, GLN7D, GLU14C, GLU14D, GLU34C, GLU34D, GLU42C, GLU42D, GLY27C, GLY27D, ILE11C, ILE11D, ILE43C, ILE43D, ILE46C, ILE46D, ILE47C, ILE47D, ILE6C, ILE6D, ILE8C, ILE8D, LEU28C, LEU28D, LEU35C, LEU35D, LEU38C, LEU38D, LEU45C, LEU45D, LEU54C, LEU54D, LEU66C, LEU66D, LEU67C, LEU67D, LYS23C, LYS23D, LYS25C, LYS25D, LYS30C, LYS30D, LYS31C, LYS31D, LYS53C, LYS53D, LYS5C, LYS5D, LYS64C, LYS64D, LYS68C, LYS68D, MET12C, MET12D, MET29C, MET29D, MET62C, MET62D, PHE21C, PHE21D, PHE26C, PHE26D, PHE48C, PHE48D, PHE55C, PHE55D, SER36C, SER36D, SER50C, SER50D, SER51C, SER51D, SER59C, SER59D, THR20C, THR20D, THR22C, THR22D, THR70C, THR70D, THR9C, THR9D, TYR33C, TYR33D, TYR57C, TYR57D, TYR69C, TYR69D, TYR72C, TYR72D, VAL19C, VAL19D, VAL37C, VAL37D, VAL65C, VAL65D