1ZKF

cyrstal structure of human cyclophilin-a in complex with suc-agpf-pna

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 38
  • Norm. En. per Res.: -2.8262
• 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	0.0	-24.8701	-32.2926	-57.1627	32	1	0	1789	0	9	7
A-C	-19.2876	0.0	-88.1093	-107.3969	38	1	2	3003	0	0	0
A-D	0.0	0.0	-19.416	-19.416	9	0	0	567	0	0	0
B-C	0.0	0.0	-16.0853	-16.0853	8	0	0	547	0	0	0
B-D	-20.8987	0.0	-85.7341	-106.6328	38	1	2	2943	0	0	0
C-D	0.0	0.0	-12.179	-12.179	6	3	1	321	0	0	0

Interface residues

• A-B: ALA117A, ALA117B, ARG148A, ARG148B, ARG55A, ARG55B, ASN149A, ASN149B, GLU120A, GLU120B, GLY150A, GLY150B, GLY59A, GLY94A, GLY94B, HIS92B, ILE57A, ILE57B, LYS118A, LYS118B, PHE60A, PHE60B, PRO95A, PRO95B, SER147A, SER147B, THR119A, THR119B, THR93A, THR93B, TRP121A, TRP121B
• A-C: ALA101A, ALA103A, ALA2C, ARG55A, ASN102A, ASN108A, ASN71A, ASP66A, CYS115A, CYS62A, GLN111A, GLN63A, GLY104A, GLY109A, GLY3C, GLY64A, GLY72A, GLY74A, HIS126A, HIS54A, HIS92A, ILE114A, ILE57A, LEU122A, LYS125A, MET100A, MET61A, PHE112A, PHE113A, PHE5C, PHE60A, PRO4C, SER110A, SER99A, THR107A, THR119A, THR73A, TRP121A
• A-D: ASP123A, GLU120A, HIS126A, LEU122A, LYS125A, PHE5D, PHE60A, PRO4D, TRP121A
• B-C: ASP123B, HIS126B, LEU122B, LYS125B, PHE5C, PHE60B, PRO4C, TRP121B
• B-D: ALA101B, ALA103B, ALA2D, ARG55B, ASN102B, ASN108B, ASN71B, ASP66B, CYS115B, CYS62B, GLN111B, GLN63B, GLY104B, GLY109B, GLY3D, GLY64B, GLY72B, GLY74B, HIS126B, HIS54B, HIS92B, ILE114B, ILE57B, LEU122B, LYS125B, MET100B, MET61B, PHE112B, PHE113B, PHE5D, PHE60B, PRO4D, SER110B, SER99B, THR107B, THR119B, THR73B, TRP121B
• C-D: GLY3C, GLY3D, PHE5C, PHE5D, PRO4C, PRO4D