3KIJ

crystal structure of the human pdi-peroxidase

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 51
  • Norm. En. per Res.: -2.9913
• 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	-14.401	-15.9872	-99.0009	-129.3891	50	6	0	3849	0	14	23
A-C	-16.4912	-19.6189	-98.1332	-134.2433	52	5	0	3656	2	13	21
B-C	-20.8601	-28.2287	-103.469	-152.5579	51	10	0	4020	1	15	22

Interface residues

• A-B: ARG117A, ARG152B, ARG163B, ARG182B, ARG84A, ARG84B, ASN109B, ASN129A, ASN165A, ASN165B, ASN85B, ASP78A, ASP83A, CYS79A, CYS79B, GLN110B, GLN80A, GLN80B, GLU113A, GLU113B, GLU161B, GLU184B, GLU185B, GLY112A, GLY112B, GLY131A, GLY144B, LEU143B, LEU81A, LEU81B, LEU87A, LYS128A, LYS160B, PHE111B, PHE125A, PHE166B, PHE180B, PRO116A, PRO162B, PRO183B, SER114A, SER114B, SER77A, THR82A, THR82B, TRP164A, TRP164B, TRP167B, TYR130A, TYR86A
• A-C: ALA126C, ARG117C, ARG152A, ARG163A, ARG182A, ARG84A, ARG84C, ASN109A, ASN129C, ASN165A, ASN165C, ASN85A, ASP78C, ASP83C, CYS79A, CYS79C, GLN110A, GLN80A, GLN80C, GLU113A, GLU113C, GLU161A, GLU184A, GLU184C, GLU185A, GLY112A, GLY112C, GLY144A, LEU143A, LEU81A, LEU81C, LEU87C, LYS128C, LYS160A, PHE111A, PHE125C, PHE166A, PHE180A, PRO116C, PRO162A, PRO183A, SER114A, SER114C, SER145A, SER77C, THR82A, THR82C, TRP164A, TRP164C, TRP167A, TYR130C, TYR86C
• B-C: ALA126B, ARG117B, ARG152C, ARG163C, ARG182C, ARG84B, ARG84C, ASN109C, ASN129B, ASN165B, ASN165C, ASN85C, ASP78B, ASP83B, CYS79B, CYS79C, GLN110C, GLN80B, GLN80C, GLU113B, GLU113C, GLU161C, GLU184C, GLU185C, GLY112B, GLY112C, GLY144C, LEU143C, LEU81B, LEU81C, LEU87B, LYS128B, LYS160C, PHE111C, PHE125B, PHE166C, PHE180C, PRO116B, PRO162C, PRO183C, SER114B, SER114C, SER77B, THR82B, THR82C, TRP164B, TRP164C, TRP167C, TYR130B, TYR86B, VAL155C