3Q5L

crystal structure of the amino-terminal domain of hsp90 from leishmania major, lmjf33.0312:m1-k 213 in the presence of aep

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 89
  • Norm. En. per Res.: -2.4903
• 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	-15.8761	-15.351	-143.1	-174.3271	82	3	5	5816	2	17	15
A-C	-20.1323	-34.7787	-166.728	-221.639	89	3	5	6416	2	17	15
C-D	0.0	-28.4609	-152.597	-181.0579	82	0	4	6030	3	15	15

Interface residues

• A-B: ALA102A, ALA106A, ALA106B, ALA109B, ALA130B, ALA151B, ALA6B, ALA9B, ARG132B, ARG31A, ARG45A, ARG97A, ASN12B, ASN20B, ASN25A, ASP112A, ASP112B, ASP131B, ASP178B, ASP39A, ASP42A, GLN118A, GLN13B, GLN179B, GLN8B, GLU105A, GLU105B, GLU108B, GLU10B, GLU177B, GLU197A, GLU32A, GLY110B, GLY111B, GLY117A, GLY120A, GLY152B, GLY153B, GLY200A, GLY93B, GLY99A, HIS195A, ILE116A, ILE11B, ILE199A, ILE19B, ILE28A, LEU107B, LEU17B, LEU49A, LYS101A, LYS101B, LYS176B, LYS26B, LYS43A, MET104B, MET113B, MET115A, MET15B, PHE103A, PHE103B, PHE119A, PHE198A, PHE22B, PHE7B, SER114A, SER150B, SER16B, SER196A, SER24B, SER35A, SER38A, SER98A, THR100A, THR154B, THR21B, THR94B, TYR127B, TYR201A, TYR23B, TYR46A, VAL121A
• A-C: ALA102C, ALA106A, ALA106C, ALA109A, ALA130A, ALA151A, ALA6A, ALA9A, ARG132A, ARG31C, ARG45C, ARG97C, ASN12A, ASN20A, ASN25C, ASN91C, ASP112A, ASP112C, ASP131A, ASP178A, ASP39C, ASP42C, GLN118C, GLN13A, GLN179A, GLN47C, GLN8A, GLU105A, GLU105C, GLU108A, GLU10A, GLU177A, GLU197C, GLU27C, GLU32C, GLY110A, GLY111A, GLY117C, GLY120C, GLY152A, GLY153A, GLY200C, GLY93A, GLY99C, HIS195C, ILE116C, ILE11A, ILE18A, ILE199C, ILE19A, ILE28C, LEU107A, LEU128A, LEU17A, LEU49C, LYS101A, LYS101C, LYS176A, LYS194C, LYS26A, LYS43C, MET104A, MET113A, MET113C, MET115C, MET15A, PHE103A, PHE103C, PHE119C, PHE198C, PHE22A, PHE7A, SER114C, SER150A, SER16A, SER196C, SER24A, SER35C, SER38C, SER98C, THR100C, THR154A, THR21A, THR94A, TYR127A, TYR201C, TYR23A, TYR46C, VAL121C
• C-D: ALA102D, ALA106C, ALA106D, ALA109C, ALA130C, ALA151C, ALA6C, ALA9C, ARG132C, ARG31D, ARG45D, ARG97D, ASN12C, ASN20C, ASN25D, ASP112C, ASP112D, ASP131C, ASP178C, ASP39D, ASP42D, GLN118D, GLN13C, GLN8C, GLU105C, GLU105D, GLU108C, GLU10C, GLU177C, GLU197D, GLU32D, GLY110C, GLY111C, GLY117D, GLY120D, GLY152C, GLY153C, GLY200D, GLY93C, GLY99D, HIS195D, ILE116D, ILE11C, ILE199D, ILE19C, ILE28D, LEU107C, LEU17C, LEU49D, LYS101D, LYS176C, LYS194D, LYS26C, LYS43D, MET104C, MET113C, MET113D, MET115D, MET15C, PHE103C, PHE103D, PHE119D, PHE198D, PHE22C, PHE7C, SER114D, SER150C, SER16C, SER196D, SER24C, SER35D, SER38D, SER98D, THR100D, THR154C, THR21C, THR94C, TYR127C, TYR201D, TYR23C, TYR46D, VAL121D