2GL6

crystal structure of human sarcomeric mitochondrial creatine kinase

• Total interactions analyzed: 28
• Total true interactions: 20
• Strongest Interaction:
  • Chains: C-E
  • Int. Res.: 10
  • Norm. En. per Res.: -4.7077
• Hub Node: A(5)

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	-7.1022	-13.9285	-91.6814	-112.712	42	3	0	3431	0	12	12
A-D	-4.9385	5.7556	-81.0022	-80.1851	41	5	0	3059	0	10	10
A-F	0.0	20.5918	-5.3404	15.2513	29	0	0	662	0	26	22
A-G	-105.8384	-44.4268	-300.387	-450.6521	119	10	5	10409	4	64	52
A-H	0.0	0.0	-33.083	-33.083	16	1	2	1785	0	0	0
B-C	0.0	8.1082	-96.8053	-88.6971	44	1	0	3496	0	12	13
B-D	0.0	-13.3877	-85.6054	-98.9931	42	2	0	3367	0	12	11
B-E	-101.1625	-54.6317	-303.648	-459.4423	127	12	6	10873	4	64	50
B-F	0.0	0.0	-52.3847	-52.3847	15	2	3	1786	0	0	0
B-H	0.0	16.754	-4.6287	12.1253	30	0	0	689	0	29	22
C-E	-13.3171	0.0	-33.7599	-47.077	10	1	2	1117	0	0	0
C-G	0.0	21.9109	-2.0363	19.8746	23	0	0	377	0	22	18
C-H	-105.5034	-47.5421	-296.053	-449.0985	118	10	5	10239	4	57	48
D-E	0.0	15.4411	-3.3401	12.101	27	0	0	504	0	24	20
D-F	-113.562	-51.5593	-295.314	-460.4353	126	16	4	10586	5	62	55
D-G	0.0	0.0	-19.5531	-19.5531	6	0	1	689	0	0	0
E-F	0.0	-11.6518	-86.0277	-97.6795	40	2	0	3299	0	10	10
E-H	-7.1982	-12.323	-86.4887	-106.0099	39	4	0	3327	0	10	11
F-G	0.0	-13.5159	-81.0938	-94.6097	41	1	0	3088	0	10	10
G-H	-6.0463	-16.5546	-91.634	-114.2349	43	2	0	3406	1	10	10

Interface residues

• A-C: ALA183C, ALA52A, ALA71A, ALA74A, ARG172C, ARG296C, ARG301C, ARG58A, ARG77A, ASN190C, ASP53A, ASP56A, GLN299C, GLU184C, GLU187C, GLU295C, GLU300C, GLU304C, GLY173C, GLY302C, ILE171C, ILE298C, ILE72A, LEU174C, LEU57A, LEU68A, LYS75A, PHE305C, PHE48A, PRO49A, PRO50A, PRO55A, PRO70A, SER175C, SER51A, THR194C, THR69A, TRP303C, TYR54A, TYR73A, VAL188C, VAL191C
• A-D: ALA183A, ALA52D, ALA71D, ALA74D, ARG172A, ARG296A, ARG301A, ARG58D, ARG77D, ASN190A, ASP53D, ASP56D, GLN299A, GLU184A, GLU187A, GLU300A, GLU304A, GLY173A, GLY302A, ILE171A, ILE298A, ILE72D, LEU174A, LEU57D, LEU68D, LYS75D, PHE305A, PHE48D, PRO49D, PRO50D, PRO55D, PRO70D, SER175A, SER51D, THR194A, THR69D, TRP303A, TYR54D, TYR73D, VAL188A, VAL191A
• A-F: ALA183A, ALA183F, ARG186A, ARG186F, ARG301A, ARG301F, ASN190A, ASN190F, ASP247A, GLU187A, GLU187F, GLU189A, GLU197A, GLU197F, GLU212A, GLU212F, GLY302A, GLY302F, ILE193A, ILE193F, LYS209A, LYS209F, SER211A, SER211F, THR194A, THR194F, TRP303A, TRP303F, VAL191A
• A-G: ALA183A, ALA183G, ALA242A, ALA242G, ALA248A, ALA248G, ALA52A, ALA52G, ARG182A, ARG182G, ARG185A, ARG185G, ARG186A, ARG186G, ARG243A, ARG243G, ARG249A, ARG249G, ARG46A, ARG58A, ARG58G, ARG77A, ARG77G, ASN190A, ASN190G, ASN83G, ASN97A, ASN97G, ASP244A, ASP244G, ASP247A, ASP247G, ASP53A, ASP53G, ASP56A, ASP56G, ASP88A, ASP88G, ASP96A, ASP96G, CYS180A, CYS180G, CYS238A, CYS238G, GLN89A, GLN89G, GLN92A, GLN92G, GLU184A, GLU184G, GLU187A, GLU187G, GLU212A, GLU212G, GLY173A, GLY173G, GLY240A, GLY240G, HIS60A, HIS60G, ILE91A, ILE91G, LEU174A, LEU174G, LEU47A, LEU57A, LEU57G, LEU68A, LEU68G, LEU87A, LEU87G, LYS209A, LYS209G, LYS59G, MET64A, MET64G, PHE48A, PHE48G, PRO234A, PRO234G, PRO246A, PRO246G, PRO49A, PRO49G, PRO50A, PRO50G, PRO55A, PRO55G, PRO98A, PRO98G, SER175A, SER175G, SER211A, SER211G, SER51A, SER51G, THR181A, THR181G, THR237A, THR237G, THR86A, THR86G, THR93A, THR93G, TRP245A, TRP245G, TRP303A, TRP303G, TYR54A, TYR54G, TYR73A, TYR73G, VAL188A, VAL188G, VAL191A, VAL191G, VAL232A, VAL95A, VAL95G
• A-H: ALA52A, ALA52H, ARG46A, ARG77A, ARG77H, ASN78A, ASN78H, LEU47A, LEU47H, PHE48A, PHE48H, PRO49A, PRO49H, PRO50A, PRO50H, SER51H
• B-C: ALA183B, ALA52C, ALA71C, ALA74C, ARG172B, ARG296B, ARG301B, ARG58C, ARG77C, ASN190B, ASN83B, ASP53C, ASP56C, GLN299B, GLU184B, GLU187B, GLU300B, GLU304B, GLY173B, GLY302B, ILE171B, ILE298B, ILE72C, LEU174B, LEU297B, LEU57C, LEU68C, LYS59C, LYS75C, PHE305B, PHE48C, PRO49C, PRO50C, PRO55C, PRO70C, SER175B, SER51C, THR194B, THR69C, TRP303B, TYR54C, TYR73C, VAL188B, VAL191B
• B-D: ALA183D, ALA52B, ALA71B, ALA74B, ARG172D, ARG296D, ARG301D, ARG58B, ARG77B, ASN190D, ASN83D, ASP53B, ASP56B, GLN299D, GLU184D, GLU187D, GLU295D, GLU300D, GLU304D, GLY173D, GLY302D, ILE171D, ILE298D, ILE72B, LEU174D, LEU57B, LEU68B, LYS75B, PHE305D, PHE48B, PRO49B, PRO50B, PRO55B, PRO70B, SER175D, SER51B, THR69B, TRP303D, TYR54B, TYR73B, VAL188D, VAL191D
• B-E: ALA179E, ALA183B, ALA183E, ALA242B, ALA242E, ALA248B, ALA248E, ALA52B, ALA52E, ARG172E, ARG182B, ARG182E, ARG185B, ARG185E, ARG186B, ARG186E, ARG243B, ARG243E, ARG249B, ARG249E, ARG46B, ARG58B, ARG58E, ARG77B, ARG77E, ASN190B, ASN190E, ASN83B, ASN83E, ASN97B, ASN97E, ASP244B, ASP244E, ASP247B, ASP247E, ASP53B, ASP53E, ASP56B, ASP56E, ASP88B, ASP88E, ASP96B, ASP96E, CYS180B, CYS180E, CYS238B, CYS238E, GLN89B, GLN89E, GLN92B, GLN92E, GLU184B, GLU184E, GLU187B, GLU187E, GLU212B, GLU212E, GLY173B, GLY173E, GLY240B, GLY240E, HIS60B, HIS60E, ILE91B, ILE91E, LEU174B, LEU174E, LEU210B, LEU47B, LEU47E, LEU57B, LEU57E, LEU68B, LEU68E, LEU87B, LEU87E, LYS209B, LYS209E, LYS59B, LYS59E, MET64B, MET64E, PHE48B, PHE48E, PRO234B, PRO234E, PRO246B, PRO246E, PRO49B, PRO49E, PRO50B, PRO50E, PRO55B, PRO55E, PRO82B, PRO98B, PRO98E, SER175B, SER175E, SER211B, SER211E, SER51B, SER51E, THR181B, THR181E, THR237B, THR237E, THR86B, THR86E, THR93B, THR93E, TRP245B, TRP245E, TRP303B, TRP303E, TYR54B, TYR54E, TYR73B, TYR73E, VAL188B, VAL188E, VAL191B, VAL191E, VAL232B, VAL232E, VAL95B, VAL95E
• B-F: ALA52B, ALA52F, ARG46B, ARG77B, ARG77F, ASN78B, ASN78F, LEU47B, LEU47F, PHE48B, PHE48F, PRO49B, PRO49F, PRO50B, PRO50F
• B-H: ALA183B, ALA183H, ARG186B, ARG186H, ARG301B, ARG301H, ASN190B, ASN190H, ASP247H, GLU187B, GLU187H, GLU189B, GLU189H, GLU197B, GLU197H, GLU212B, GLU212H, GLU300B, GLY302B, GLY302H, ILE193B, ILE193H, LYS209B, LYS209H, SER211B, SER211H, THR194B, THR194H, TRP303B, TRP303H
• C-E: ALA52C, ALA52E, ARG77C, ASN78C, LEU47E, PHE48C, PHE48E, PRO49C, PRO49E, PRO50C
• C-G: ALA183C, ALA183G, ARG186C, ARG186G, ARG301C, ARG301G, ASN190C, ASN190G, ASP247C, GLU187C, GLU187G, GLU212G, GLU300C, GLU300G, GLY302C, GLY302G, LYS209C, LYS209G, SER211G, THR194C, THR194G, TRP303C, TRP303G
• C-H: ALA183C, ALA183H, ALA242C, ALA242H, ALA248C, ALA248H, ALA52C, ALA52H, ARG182C, ARG182H, ARG185C, ARG185H, ARG186C, ARG186H, ARG243C, ARG243H, ARG249C, ARG249H, ARG58C, ARG58H, ARG77C, ARG77H, ASN190C, ASN190H, ASN83C, ASN97C, ASN97H, ASP244C, ASP244H, ASP247C, ASP247H, ASP53C, ASP53H, ASP56C, ASP56H, ASP88C, ASP88H, ASP96C, ASP96H, CYS180C, CYS180H, CYS238C, CYS238H, GLN89C, GLN89H, GLN92C, GLN92H, GLU184C, GLU184H, GLU187C, GLU187H, GLU212H, GLY173C, GLY173H, GLY240C, GLY240H, GLY94H, HIS60C, HIS60H, ILE91C, ILE91H, LEU174C, LEU174H, LEU47H, LEU57C, LEU57H, LEU68C, LEU68H, LEU87C, LEU87H, LYS209C, LYS209H, LYS230C, LYS59C, MET64C, MET64H, PHE48C, PHE48H, PRO234C, PRO234H, PRO246C, PRO246H, PRO49C, PRO49H, PRO50C, PRO50H, PRO55C, PRO55H, PRO98C, PRO98H, SER175C, SER175H, SER211H, SER51C, SER51H, THR181C, THR181H, THR237C, THR237H, THR86C, THR86H, THR93C, THR93H, TRP245C, TRP245H, TRP303C, TRP303H, TYR54C, TYR54H, TYR73C, TYR73H, VAL188C, VAL188H, VAL191C, VAL191H, VAL232H, VAL95C, VAL95H
• D-E: ALA183D, ALA183E, ARG186D, ARG186E, ARG301D, ARG301E, ASN190D, ASN190E, ASP247E, GLU187D, GLU187E, GLU197D, GLU197E, GLU212D, GLU212E, GLU300D, GLY302D, GLY302E, ILE193D, ILE193E, LYS209D, LYS209E, SER211E, THR194D, THR194E, TRP303D, TRP303E
• D-F: ALA183D, ALA183F, ALA242D, ALA242F, ALA248D, ALA248F, ALA52D, ALA52F, ARG182D, ARG182F, ARG185D, ARG185F, ARG186D, ARG186F, ARG243D, ARG243F, ARG249D, ARG249F, ARG58D, ARG58F, ARG77D, ARG77F, ASN190D, ASN190F, ASN83D, ASN83F, ASN97D, ASN97F, ASP244D, ASP244F, ASP247D, ASP247F, ASP53D, ASP53F, ASP56D, ASP56F, ASP88D, ASP88F, ASP96D, ASP96F, CYS180D, CYS180F, CYS238D, CYS238F, GLN89D, GLN89F, GLN92D, GLN92F, GLU184D, GLU184F, GLU187D, GLU187F, GLU212D, GLU212F, GLY173D, GLY173F, GLY240D, GLY240F, GLY94D, GLY94F, HIS60D, HIS60F, ILE91D, ILE91F, LEU174D, LEU174F, LEU210D, LEU210F, LEU47F, LEU57D, LEU57F, LEU68D, LEU68F, LEU87D, LEU87F, LYS209D, LYS209F, LYS230D, LYS59F, MET213D, MET213F, MET64D, MET64F, PHE48D, PHE48F, PRO234D, PRO234F, PRO246D, PRO246F, PRO49D, PRO49F, PRO50D, PRO50F, PRO55D, PRO55F, PRO98D, PRO98F, SER175D, SER175F, SER211D, SER211F, SER51D, SER51F, THR181D, THR181F, THR237D, THR237F, THR86D, THR86F, THR93D, THR93F, TRP245D, TRP245F, TRP303D, TRP303F, TYR54D, TYR54F, TYR73D, TYR73F, VAL188D, VAL188F, VAL191D, VAL191F, VAL232F, VAL95D, VAL95F
• D-G: ALA52D, ALA52G, PHE48D, PHE48G, PRO49D, PRO49G
• E-F: ALA183E, ALA52F, ALA71F, ALA74F, ARG172E, ARG296E, ARG301E, ARG58F, ARG77F, ASP53F, ASP56F, GLN299E, GLU184E, GLU187E, GLU300E, GLU304E, GLY173E, GLY302E, ILE171E, ILE298E, ILE72F, LEU174E, LEU57F, LEU68F, LYS75F, PHE305E, PHE48F, PRO49F, PRO50F, PRO55F, PRO70F, SER175E, SER51F, THR194E, THR69F, TRP303E, TYR54F, TYR73F, VAL188E, VAL191E
• E-H: ALA183H, ALA52E, ALA71E, ALA74E, ARG172H, ARG296H, ARG301H, ARG58E, ASN190H, ASP53E, ASP56E, GLN299H, GLU184H, GLU187H, GLU300H, GLU304H, GLY173H, GLY302H, ILE171H, ILE298H, ILE72E, LEU174H, LEU57E, LEU68E, LYS75E, PHE305H, PHE48E, PRO49E, PRO50E, PRO55E, PRO70E, SER175H, SER51E, THR69E, TRP303H, TYR54E, TYR73E, VAL188H, VAL191H
• F-G: ALA183F, ALA52G, ALA71G, ALA74G, ARG172F, ARG296F, ARG301F, ARG58G, ARG77G, ASN190F, ASP53G, ASP56G, GLN299F, GLU184F, GLU187F, GLU300F, GLU304F, GLY173F, GLY302F, ILE171F, ILE298F, ILE72G, LEU174F, LEU57G, LEU68G, LYS75G, PHE305F, PHE48G, PRO49G, PRO50G, PRO55G, PRO70G, SER175F, SER51G, THR194F, THR69G, TRP303F, TYR54G, TYR73G, VAL188F, VAL191F
• G-H: ALA183G, ALA52H, ALA71H, ALA74H, ARG172G, ARG296G, ARG301G, ARG58H, ARG77H, ASN83G, ASP53H, ASP56H, GLN299G, GLU184G, GLU187G, GLU295G, GLU300G, GLU304G, GLY173G, GLY302G, ILE171G, ILE298G, ILE72H, LEU174G, LEU297G, LEU57H, LEU68H, LYS75H, PHE305G, PHE48H, PRO49H, PRO50H, PRO55H, PRO70H, SER175G, SER51H, THR194G, THR69H, TRP303G, TYR54H, TYR73H, VAL188G, VAL191G