3MAX

crystal structure of human hdac2 complexed with an n-(2-aminophenyl) benzamide

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 55
  • Norm. En. per Res.: -4.9972
• 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	-42.7469	-58.5303	-173.567	-274.8442	55	6	2	5948	4	20	18
A-C	-26.3369	-20.0856	-116.16	-162.5825	63	1	0	4966	3	43	35
B-C	-25.074	1.2487	-82.6999	-106.5251	57	3	0	3412	0	33	24

Interface residues

• A-B: ARG217A, ARG234A, ARG370A, ARG41B, ASN331B, ASN336B, ASN357A, ASN359A, ASN45B, ASN49B, ASP215A, ASP218A, ASP235A, ASP337B, ASP345B, GLN358A, GLN369A, GLU208A, GLU332B, GLU340B, GLU362A, GLU365A, GLU373A, GLY207A, GLY214A, GLY343B, GLY51B, HIS204A, ILE367A, LEU216A, LEU333B, LEU46B, LEU48B, LYS347B, LYS366A, LYS368A, MET233A, MET364A, PHE231A, PHE339B, PHE342B, PHE346B, PRO232A, PRO330B, PRO334B, PRO344B, PRO361A, THR360A, TYR206A, TYR335B, TYR338B, TYR341B, TYR363A, TYR50B, TYR53B
• A-C: ALA152C, ALA191C, ALA221C, ARG370A, ARG376A, ARG98C, ASN100C, ASN374A, ASP196C, ASP75C, GLN244A, GLN369A, GLN95C, GLN97C, GLU151C, GLU190C, GLU240A, GLU362A, GLU365A, GLU373A, GLU76C, GLY187C, GLY220C, GLY222C, GLY224C, HIS73C, ILE219A, ILE219C, ILE245A, LEU371A, LEU375A, LEU378A, LYS148C, LYS149C, LYS223C, LYS225A, LYS225C, LYS252A, LYS366A, LYS368A, LYS94C, MET256A, MET364A, MET377A, MET96C, PHE192C, PHE372A, PHE99C, PRO361A, SER150C, SER153C, SER241A, SER74C, SER93C, THR194C, THR195C, THR213C, THR360A, TYR193C, TYR226A, TYR363A, TYR72C, TYR77C
• B-C: ALA191C, ALA66C, ARG197C, ASN130C, ASN280B, ASN331B, ASN354B, ASP345B, ASP75C, GLN173C, GLU167C, GLU328B, GLU332B, GLU67C, GLU68C, GLU76C, HIS172C, HIS349B, HIS73C, ILE329B, ILE350B, ILE78C, LEU163C, LEU166C, LEU168C, LEU169C, LEU333B, LEU348B, LYS149C, LYS170C, LYS223C, LYS284B, LYS347B, LYS71C, LYS79C, MET355B, MET69C, PHE192C, PHE346B, PRO330B, PRO344B, PRO352B, SER150C, SER351B, SER353B, SER74C, THR194C, THR195C, THR282B, THR356B, THR65C, THR70C, TYR171C, TYR319B, TYR50B, TYR72C, TYR77C