1MF8

crystal structure of human calcineurin complexed with cyclosporin a and human cyclophilin

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 153
  • Norm. En. per Res.: -3.5864
• 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	-58.2727	-17.1246	-473.325	-548.7223	153	41	25	22699	2	19	18
A-C	0.0	20.9257	-70.4343	-49.5086	71	8	0	3262	0	21	15
A-D	0.0	0.0	-25.6808	-25.6808	19	1	1	971	0	0	0
B-C	-3.9112	13.3129	-19.9987	-10.597	33	10	0	1363	0	5	6
B-D	0.0	0.0	-0.053	-0.053	7	0	0	25	0	0	0
C-D	0.0	0.0	-3.6401	-3.6401	14	0	0	259	0	0	0

Interface residues

• A-B: ALA139B, ALA20A, ALA94B, ARG146B, ARG21B, ARG25B, ARG28A, ARG55A, ARG56B, ARG96B, ASN108B, ASN122B, ASN138B, ASN367A, ASN370A, ASN51B, ASP125B, ASP133B, ASP140B, ASP160B, ASP168B, ASP30B, ASP313A, ASP348A, ASP59B, ASP99B, CYS153B, GLN127B, GLN129B, GLN130B, GLN49B, GLN50B, GLN55B, GLN80B, GLU151B, GLU359A, GLU363A, GLU41B, GLU47B, GLU53A, GLY120B, GLY145B, GLY157B, GLY358A, GLY77B, HIS162B, HIS339A, ILE106B, ILE131B, ILE136B, ILE137B, ILE147B, ILE161B, ILE168A, ILE371A, ILE58B, ILE60B, ILE75B, ILE97B, LEU111B, LEU115B, LEU123B, LEU128B, LEU159B, LEU22B, LEU29B, LEU343A, LEU354A, LEU365A, LEU369A, LEU37B, LEU45B, LEU48B, LEU53B, LEU91B, LYS116B, LYS124B, LYS134B, LYS141B, LYS163B, LYS164B, LYS169A, LYS24B, LYS27B, LYS28B, LYS360A, LYS52A, LYS90B, MET117B, MET118B, MET165B, MET347A, MET364A, MET43B, PHE112B, PHE125A, PHE14B, PHE152B, PHE23A, PHE26B, PHE346A, PHE350A, PHE356A, PHE42B, PHE61B, PHE74B, PHE81B, PHE93B, PHE95B, PHE96A, PRO22A, PRO24A, PRO25A, PRO338A, PRO340A, PRO344A, PRO355A, PRO46B, PRO52B, SER107B, SER148B, SER26A, SER353A, SER44B, SER79B, SER82B, THR126B, THR135B, THR351A, THR362A, TRP342A, TRP352A, TYR124A, TYR341A, TYR98B, VAL114B, VAL119B, VAL132B, VAL155B, VAL156B, VAL166B, VAL167B, VAL21A, VAL349A, VAL357A, VAL361A, VAL366A, VAL368A, VAL39B, VAL54B, VAL57B, VAL69B, VAL78B
• A-C: ALA103C, ALA117C, ARG122A, ARG144C, ARG148C, ARG55C, ARG69C, ASN149C, ASN310A, ASN316A, ASN345A, ASN367A, ASN71C, ASP121A, ASP285A, ASP313A, ASP66C, GLN164A, GLU120C, GLU140C, GLU143C, GLU158A, GLU359A, GLU363A, GLU81C, GLY146C, GLY150C, GLY255A, GLY358A, GLY59C, GLY72C, GLY74C, GLY75C, HIS151A, ILE56C, ILE57C, LEU122C, LEU156A, LEU312A, LEU354A, LYS118C, LYS125C, LYS151C, LYS360A, LYS82C, MET347A, PHE145C, PHE160A, PHE356A, PHE60C, PRO344A, PRO355A, PRO58C, SER147C, SER353A, THR107C, THR119C, THR161A, THR252A, THR362A, THR68C, THR73C, TRP121C, TRP352A, TYR124A, TYR159A, TYR311A, TYR315A, VAL314A, VAL357A, VAL366A
• A-D: ALA11D, ARG122A, ASN345A, ASP313A, HIS339A, LEU312A, LEU343A, MET347A, PHE346A, PHE356A, PRO344A, PRO355A, SER353A, TRP342A, TRP352A, TYR124A, TYR341A, VAL314A, VAL9D
• B-C: ALA103C, ARG69C, ASN102C, ASN106C, ASN121B, ASN122B, ASN51B, ASN71C, ASP66C, GLN49B, GLN50B, GLU47B, GLU81C, GLY104C, GLY120B, GLY72C, GLY74C, GLY80C, HIS70C, ILE161B, LEU48B, LYS125C, LYS164B, LYS82C, MET118B, PRO105C, PRO46B, PRO52B, THR107C, THR68C, THR73C, VAL119B, VAL166B
• B-D: ALA11D, ASN122B, GLN127B, ILE131B, LEU123B, VAL119B, VAL9D
• C-D: ALA103C, ALA11D, ARG55C, ASN102C, ASN149C, ASN71C, GLN63C, GLY150C, GLY72C, HIS54C, ILE57C, PHE60C, THR73C, VAL9D