1M9E

x-ray crystal structure of cyclophilin a/hiv-1 ca n- terminal domain (1-146) m-type h87a complex.

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 65
  • Norm. En. per Res.: -2.9333
• 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-C	0.0	0.0	-0.0007	-0.0007	2	0	0	2	0	0	0
A-D	-15.3382	0.0	-126.842	-142.1802	58	5	6	4746	0	1	3
B-C	-34.5475	0.0	-156.118	-190.6655	65	6	5	5811	0	2	5
B-D	0.0	0.0	-2.2225	-2.2225	5	0	0	173	0	0	1
C-D	-9.2822	23.5522	-62.1763	-47.9063	71	7	0	3769	0	22	17

Interface residues

• A-C: ARG69A, GLY8C
• A-D: ALA101A, ALA103A, ALA117A, ALA87D, ALA88D, ALA92D, ARG100D, ARG148A, ARG55A, ARG97D, ASN102A, ASN108A, ASN149A, ASN71A, ASP66A, CYS115A, CYS62A, GLN111A, GLN63A, GLN95D, GLY104A, GLY109A, GLY150A, GLY59A, GLY64A, GLY72A, GLY74A, GLY75A, GLY89D, GLY94D, HIS126A, HIS54A, HIS92A, ILE114A, ILE57A, ILE91D, LEU122A, LYS118A, LYS125A, LYS82A, MET100A, MET61A, PHE112A, PHE113A, PHE60A, PRO105A, PRO58A, PRO85D, PRO90D, PRO93D, SER110A, SER147A, SER99A, THR107A, THR119A, THR73A, TRP121A, VAL86D
• B-C: ALA101B, ALA103B, ALA117B, ALA87C, ALA88C, ALA92C, ARG100C, ARG148B, ARG55B, ARG69B, ARG82C, ARG97C, ASN102B, ASN108B, ASN121C, ASN149B, ASN71B, ASP66B, CYS115B, CYS62B, GLN111B, GLN63B, GLN95C, GLU98C, GLY104B, GLY109B, GLY150B, GLY59B, GLY64B, GLY72B, GLY74B, GLY75B, GLY89C, GLY94C, HIS120C, HIS126B, HIS54B, HIS84C, HIS92B, ILE114B, ILE57B, ILE91C, LEU122B, LYS118B, LYS125B, LYS82B, MET100B, MET61B, MET96C, PHE112B, PHE113B, PHE60B, PRO122C, PRO58B, PRO85C, PRO90C, PRO93C, SER110B, SER147B, SER99B, THR107B, THR119B, THR73B, TRP121B, VAL86C
• B-D: ASN121D, ASN149B, HIS120D, LYS151B, PRO122D
• C-D: ALA42D, ARG132C, ARG132D, ARG143C, ARG143D, ARG82C, ARG82D, ASN139C, ASN139D, GLU128C, GLU128D, GLU35C, GLU35D, GLU45C, GLU45D, GLU75C, GLU76C, GLU76D, GLU79C, GLU79D, GLY137C, GLY137D, HIS84C, HIS84D, ILE129C, ILE129D, ILE135C, ILE135D, ILE141C, ILE141D, ILE37C, ILE37D, LEU136C, LEU136D, LEU138C, LEU138D, LEU83C, LEU83D, LYS131C, LYS131D, LYS140C, LYS140D, MET144C, MET144D, PHE32C, PHE32D, PRO122C, PRO122D, PRO125C, PRO125D, PRO34C, PRO34D, PRO38C, PRO38D, SER146C, SER146D, SER33C, SER33D, SER41C, SER41D, THR72C, TRP133C, TRP133D, TRP80C, TRP80D, TYR145C, TYR145D, VAL142C, VAL142D, VAL36C, VAL36D