3K99

hsp90 n-terminal domain in complex with 4-(1,3-dihydro-2h- isoindol-2-ylcarbonyl)benzene-1,3-diol

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 109
  • Norm. En. per Res.: -4.0297
• Hub Node: A(3)

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	-3.7563	-11.0076	-40.874	-55.6379	30	1	0	1899	2	37	32
A-C	-93.7181	99.82	-205.282	-199.1801	59	19	1	6599	1	27	43
A-D	-9.7349	81.5971	-60.9744	10.8877	48	1	0	2719	2	51	50
B-D	-109.9491	-42.6896	-286.599	-439.2377	109	14	10	11089	7	47	50
C-D	0.0	0.0	-0.6986	-0.6986	5	0	0	122	0	2	3

Interface residues

• A-B: ARG201A, ARG202A, ASN155B, ASP156B, ASP157B, ASP175B, ASP66B, ASP71B, GLN159B, GLN85A, GLU158B, GLU196A, GLU199A, GLU200A, GLY181B, HIS154B, LEU198A, LEU70B, LYS153B, LYS204A, LYS224A, LYS69B, LYS84A, MET180B, PRO179B, SER68B, SER72B, THR174B, THR195A, VAL222A
• A-C: ALA101C, ALA21A, ALA21C, ARG173A, ARG173C, ARG87A, ARG87C, ASN105C, ASP9A, GLN10A, GLN23C, GLU13A, GLU13C, GLU146A, GLU14A, GLU14C, GLU15A, GLU15C, GLU163C, GLU16A, GLU16C, GLU18A, GLU18C, GLU192A, GLU192C, GLY108C, GLY167A, GLY167C, GLY168A, GLY168C, ILE104A, ILE104C, ILE110C, LYS100A, LYS100C, LYS147A, LYS147C, MET12A, MET12C, PHE170A, PHE170C, PHE20A, PHE20C, PHE22A, PHE22C, PRO11A, PRO11C, SER169A, SER169C, THR109C, THR171A, THR171C, THR176A, THR19A, THR19C, VAL172A, VAL172C, VAL17A, VAL17C
• A-D: ALA101D, ARG201A, ARG202A, ASN155D, ASN40A, ASP102D, ASP156D, ASP157D, ASP193A, ASP66D, ASP71D, GLN159D, GLN194A, GLN212A, GLU13D, GLU14D, GLU158D, GLU15D, GLU16D, GLU18D, GLU192A, GLU196A, GLU205A, GLU42A, HIS154D, HIS210A, ILE104D, ILE206A, ILE43A, LEU70D, LYS100D, LYS153D, LYS208A, LYS209A, LYS41A, LYS69D, PHE37A, PRO11D, PRO67D, SER39A, SER68D, SER72D, THR174D, THR99D, TYR160D, TYR197A, TYR38A, VAL144A
• B-D: ARG182B, ARG182D, ARG201B, ARG201D, ASN79B, ASN79D, ASN83B, ASN83D, ASP175B, ASP71B, ASP71D, ASP93D, GLN10D, GLN159B, GLN85B, GLN85D, GLU13B, GLU13D, GLU14B, GLU178B, GLU178D, GLU200B, GLU200D, GLU205B, GLU205D, GLU223B, GLU223D, GLU225B, GLU225D, GLU75B, GLU75D, GLY177B, GLY177D, GLY181B, GLY181D, GLY73B, GLY73D, HIS77B, HIS77D, ILE203B, ILE203D, ILE206B, ILE206D, ILE218B, ILE218D, ILE49B, ILE49D, ILE78B, ILE78D, ILE81B, ILE81D, LEU220B, LEU220D, LEU226B, LEU226D, LEU45B, LEU45D, LEU70B, LEU70D, LEU76B, LEU76D, LEU80B, LEU80D, LYS185D, LYS204B, LYS204D, LYS208B, LYS208D, LYS224B, LYS224D, LYS74B, LYS74D, MET12B, MET12D, MET180B, MET180D, PHE221B, PHE221D, PRO11B, PRO11D, PRO179B, PRO179D, PRO217B, PRO217D, PRO67B, PRO67D, PRO82B, PRO82D, SER211B, SER211D, SER63B, SER72B, SER72D, THR174B, THR176B, THR176D, THR219B, THR219D, THR90B, THR90D, THR94B, THR94D, TYR216B, TYR216D, VAL207B, VAL207D, VAL222B, VAL222D, VAL92D
• C-D: ASP193C, GLN10D, GLU192C, PRO11D, THR195C