2BDH

human kallikrein 4 complex with zinc and p-aminobenzamidine

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 63
  • Norm. En. per Res.: -1.9372
• 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	-3.2626	-4.8164	-99.22	-107.2991	59	8	4	5190	0	9	7
A-D	0.0	-6.8357	-89.1394	-95.975	58	0	3	4939	0	9	7
B-C	-4.7753	-4.619	-112.647	-122.0412	63	3	3	5604	0	9	7
C-D	-5.3052	-7.0197	-88.6972	-101.0221	59	4	4	4977	0	9	7

Interface residues

• A-B: ALA100B, ALA132A, ALA183A, ALA218B, ALA55B, ALA56B, ARG96B, ASN134A, ASN192B, ASN95B, ASP102B, ASP173A, ASP173B, ASP186A, CYS168A, CYS182A, CYS58B, GLN186A, GLN187A, GLN221A, GLU166A, GLY133A, GLY184A, GLY185A, GLY186A, GLY196B, GLY216B, GLY223A, HIS57B, LEU171A, LEU175B, LEU98B, LEU99B, LYS170A, LYS217A, LYS217B, MET180B, PHE215B, PRO174B, PRO219A, PRO225A, PRO97B, SER161A, SER164A, SER169A, SER195B, SER214B, THR130A, TYR172A, TYR172B, TYR176B, TYR94B, VAL162A, VAL163A, VAL167A, VAL213B, VAL222A, VAL224A, VAL227B
• A-D: ALA100A, ALA132D, ALA183D, ALA218A, ALA55A, ALA56A, ARG96A, ASN134D, ASN192A, ASN95A, ASP102A, ASP173A, ASP173D, ASP186D, CYS168D, CYS182D, CYS58A, GLN186D, GLN187D, GLN221D, GLU165D, GLU166D, GLY133D, GLY184D, GLY185D, GLY186D, GLY196A, GLY216A, GLY223D, HIS57A, LEU171D, LEU175A, LEU98A, LEU99A, LYS170D, LYS217A, PHE215A, PRO174A, PRO219A, PRO219D, PRO225D, PRO97A, SER161D, SER164D, SER169D, SER195A, SER214A, THR130D, TYR172A, TYR172D, TYR176A, TYR94A, VAL162D, VAL163D, VAL167D, VAL213A, VAL222D, VAL224D
• B-C: ALA100C, ALA132B, ALA183B, ALA218C, ALA55C, ALA56C, ARG96C, ASN134B, ASN192C, ASN95C, ASP102C, ASP173B, ASP173C, ASP186B, CYS168B, CYS182B, CYS58C, GLN186B, GLN187B, GLN221B, GLU165B, GLU166B, GLY133B, GLY184B, GLY185B, GLY186B, GLY196C, GLY216C, GLY223B, GLY226B, HIS57C, LEU171B, LEU175C, LEU98C, LEU99C, LYS170B, LYS217B, LYS217C, PHE215C, PRO174C, PRO219B, PRO219C, PRO225B, PRO97C, SER161B, SER164B, SER169B, SER195C, SER214C, THR130B, THR229C, TYR172B, TYR172C, TYR176C, TYR228C, TYR94C, VAL162B, VAL163B, VAL167B, VAL213C, VAL222B, VAL224B, VAL227C
• C-D: ALA100D, ALA132C, ALA183C, ALA218D, ALA55D, ALA56D, ARG96D, ASN134C, ASN192D, ASN95D, ASP102D, ASP173C, ASP173D, ASP186C, CYS168C, CYS182C, CYS42D, CYS58D, GLN186C, GLN187C, GLN221C, GLU165C, GLU166C, GLY133C, GLY184C, GLY185C, GLY186C, GLY216D, GLY223C, GLY226C, HIS57D, LEU171C, LEU175D, LEU98D, LEU99D, LYS170C, LYS217D, PHE215D, PRO174D, PRO219C, PRO225C, PRO97D, SER161C, SER164C, SER169C, SER195D, SER214D, THR130C, TYR172C, TYR172D, TYR176D, TYR94D, VAL162C, VAL163C, VAL167C, VAL213D, VAL222C, VAL224C, VAL227D