2V5X

crystal structure of hdac8-inhibitor complex

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 90
  • Norm. En. per Res.: -1.2381
• 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	-7.2182	6.4543	-110.668	-111.4319	90	4	0	5077	0	22	22

Interface residues

• A-B: ALA270A, ALA270B, ALA309A, ALA32A, ALA32B, ALA339A, ALA339B, ARG353A, ARG353B, ARG356A, ARG356B, ASN278A, ASN278B, ASN307A, ASN307B, ASN357A, ASN357B, ASP101A, ASP101B, ASP233A, ASP233B, ASP272A, ASP272B, ASP355A, ASP355B, ASP87A, ASP88A, ASP89A, CYS275A, CYS275B, CYS352A, CYS352B, GLN232A, GLN232B, GLU358A, GLU358B, GLY206A, GLY206B, GLY234B, GLY271A, GLY271B, GLY99A, GLY99B, HIS180A, HIS180B, ILE34B, ILE94A, ILE94B, LEU308A, LEU308B, LYS202A, LYS202B, LYS33A, LYS33B, LYS36B, MET274A, MET274B, MET40A, MET40B, PHE152B, PHE203A, PHE203B, PHE207A, PHE207B, PHE208A, PHE208B, PHE336B, PRO103A, PRO103B, PRO205A, PRO205B, PRO273A, PRO273B, PRO350A, PRO350B, PRO354A, PRO354B, PRO35A, PRO35B, SER204A, SER204B, SER276A, SER276B, SER351A, SER351B, THR338A, THR338B, TYR100A, TYR100B, TYR306A