3HHA

crystal structure of cathepsin l in complex with az12878478

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 53
  • Norm. En. per Res.: -2.4979
• Hub Node: B(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	-28.5978	-20.0778	-83.7136	-132.3892	53	5	0	3478	2	17	14
B-C	-12.9533	-0.6666	-51.732	-65.352	38	5	0	2440	1	15	13
B-D	-13.4501	-5.6557	-104.933	-124.0388	53	3	1	4201	0	13	14
C-D	-18.9864	-32.6021	-59.9347	-111.5231	69	0	0	2783	7	35	40

Interface residues

• A-B: ALA107B, ALA110B, ALA121B, ALA125B, ARG205A, ARG206A, ARG40B, ASN108B, ASN179A, ASN207A, ASP109B, ASP114B, ASP137A, ASP155A, ASP160A, ASP178A, ASP204A, ASP79B, CYS156A, GLN118A, GLN37B, GLN75B, GLN78B, GLU153A, GLU159A, GLY111B, GLY81B, HIS140A, HIS208A, ILE115B, LEU34B, LYS124B, LYS181A, LYS203A, LYS41B, MET38B, PHE112B, PHE152A, PHE74B, PRO116B, PRO154A, PRO218B, SER157A, SER158A, SER216B, THR128B, THR219B, THR42B, TYR217B, VAL113B, VAL129B, VAL220B, VAL77B
• B-C: ALA202C, ARG205B, ARG205C, ARG206C, ASN180B, ASN180C, ASP155C, GLU148B, GLU148C, GLU153C, GLU173B, GLY149B, GLY149C, GLY194B, GLY194C, GLY196B, GLY196C, ILE150B, ILE150C, LYS147B, LYS147C, MET195B, MET195C, PHE145B, PHE145C, PHE152B, PHE152C, PHE172B, PHE172C, PRO154B, PRO154C, SER142B, SER174B, THR175B, TYR146B, TYR146C, TYR151B, TYR151C
• B-D: ASN187B, ASN187D, ASN18B, ASN18D, CYS22B, GLN19B, GLN19D, GLN21B, GLN21D, GLU141B, GLU141D, GLU148B, GLU148D, GLU191B, GLU191D, GLU192B, GLU192D, GLY139B, GLY139D, GLY190B, GLY190D, GLY194B, GLY194D, GLY196B, GLY196D, GLY197B, GLY197D, GLY20B, GLY20D, HIS140B, HIS140D, HIS163B, LEU144B, LEU144D, LYS147B, LYS147D, MET195B, MET195D, PHE143B, PHE143D, PHE145B, PHE145D, SER142B, SER142D, SER188B, SER188D, TRP189B, TRP189D, TRP193B, TRP193D, TYR146B, TYR146D, TYR198D
• C-D: ARG44C, ARG44D, ARG8C, ARG8D, ASP6C, ASP6D, GLU148C, GLU148D, GLU173D, GLU191C, GLU191D, GLU192C, GLU192D, GLU86C, GLU86D, GLU87C, GLU87D, GLU9C, GLU9D, GLY11C, GLY11D, GLY149C, GLY149D, GLY194C, GLY194D, GLY196C, GLY196D, GLY197C, GLY197D, GLY43C, GLY43D, ILE46C, ILE46D, LEU184C, LEU184D, LEU45C, LEU45D, LYS10C, LYS10D, LYS147C, LYS147D, LYS17C, LYS17D, LYS200C, LYS200D, MET195C, MET195D, PHE39C, PHE39D, PRO15C, PRO15D, SER47C, SER47D, THR14C, THR14D, TRP193C, TRP193D, TRP7C, TRP7D, TYR12C, TYR12D, TYR146C, TYR182C, TYR198C, TYR198D, VAL13C, VAL13D, VAL16C, VAL16D