3C10

crystal structure of catalytic domain of human histone deacetylase hdac7 in complex with trichostatin a (tsa)

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 62
  • Norm. En. per Res.: -2.232
• 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	-18.004	-11.6127	-108.767	-138.3837	62	3	0	4543	1	14	18
A-C	0.0	2.525	-71.0669	-68.5418	41	2	2	3588	0	11	15
B-C	0.0	0.0	-1.906	-1.906	17	0	0	260	0	4	5

Interface residues

• A-B: ALA698A, ALA749A, ALA854B, ALA857B, ARG554B, ARG558B, ARG561B, ARG690A, ASN862B, ASP721A, CYS564B, CYS566B, GLN549B, GLN556B, GLN563B, GLN578A, GLN691A, GLN693A, GLN694A, GLN695A, GLN716A, GLN720A, GLU557B, GLU565B, GLU575A, GLU576A, GLU583A, GLU853B, GLY521B, GLY559B, GLY750A, GLY752A, HIS581A, HIS673A, ILE687A, LEU516B, LEU522B, LEU555B, LEU560B, LEU567B, LEU657B, LEU692A, LEU860B, LYS697A, LYS700A, PHE518B, PHE718A, PRO517B, PRO722A, SER553B, SER562B, SER579A, SER696A, SER699A, SER723A, SER751A, THR519B, THR520B, THR717A, TYR719A, VAL580A, VAL724A
• A-C: ALA572C, ALA653A, ARG568C, ARG584C, ARG639C, ARG655A, ASN592C, ASN636C, GLN578C, GLN695A, GLU565A, GLU575C, GLU576C, GLU583C, GLU656A, GLY590C, GLY832A, HIS581C, LEU516A, LEU567A, LEU574C, LEU577C, LEU587C, LEU657A, LYS571C, LYS651A, LYS658A, LYS697A, PHE518A, PHE650A, PRO517A, PRO593C, SER573C, SER582C, SER635C, SER654A, SER696A, THR515A, THR519A, THR591C, VAL586C
• B-C: ARG561C, ARG568C, ARG655B, ASP525C, CYS566C, GLN556C, GLU656B, LEU516B, LEU529C, LYS530C, LYS697B, PHE518B, PRO517B, SER526C, SER654B, THR519B, VAL527C