1QK1

crystal structure of human ubiquitous mitochondrial creatine kinase

• Total interactions analyzed: 28
• Total true interactions: 24
• Strongest Interaction:
  • Chains: A-G
  • Int. Res.: 59
  • Norm. En. per Res.: -5.9947
• Hub Node: A(6)

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	-12.5177	-31.3056	-93.9145	-137.7379	61	4	0	4170	2	22	20
A-D	-28.568	-34.6869	-126.581	-189.836	64	10	0	5093	1	22	20
A-E	-91.6178	-42.9528	-258.722	-393.2926	134	15	4	9693	4	67	49
A-F	0.0	0.0	-2.9555	-2.9555	6	0	0	190	0	2	2
A-G	-66.0157	-95.8366	-191.834	-353.6862	59	12	3	6718	4	24	17
A-H	-12.0532	15.4346	-21.0317	-17.6503	36	9	0	1312	4	33	38
B-C	-13.5141	-34.3355	-124.318	-172.1676	64	7	0	4969	1	22	20
B-D	-7.3355	-31.5992	-91.0009	-129.9356	58	2	0	4086	2	20	21
B-E	0.0	16.8422	-4.5857	12.2566	7	0	0	256	0	4	2
B-F	-72.9409	-62.8011	-254.194	-389.936	128	8	4	9306	4	65	48
B-G	-8.7653	14.2778	-34.9998	-29.4872	35	1	0	1315	4	36	38
B-H	-51.0931	-72.13	-173.416	-296.6391	60	6	4	6245	3	24	17
C-E	-13.7279	21.8426	-31.7031	-23.5884	33	6	0	1375	5	31	36
C-F	-46.7348	-85.8983	-151.621	-284.2541	60	6	2	5942	4	25	17
C-G	-79.4794	-55.1926	-257.501	-392.173	129	9	4	9402	4	68	47
C-H	0.0	0.0	-4.2268	-4.2268	9	0	0	360	0	2	2
D-E	-45.5129	-67.1712	-171.389	-284.0731	60	11	4	6273	2	23	17
D-F	-5.0289	-34.4076	-35.1089	-74.5454	32	1	0	1356	4	30	37
D-G	0.0	0.0	-2.3985	-2.3985	6	0	0	213	0	2	2
D-H	-91.5485	-50.2874	-259.311	-401.1469	126	11	4	9467	4	67	49
E-G	-22.7889	-35.7829	-82.4919	-141.0638	56	2	0	3960	1	21	20
E-H	-5.4301	-35.8913	-123.215	-164.5364	65	5	0	4966	1	22	21
F-G	-6.1538	-36.6448	-129.893	-172.6916	65	10	0	5215	1	22	22
F-H	-10.7162	-30.1039	-92.9584	-133.7786	57	3	0	4052	2	20	22

Interface residues

• A-C: ALA13A, ALA140C, ALA144C, ALA32A, ALA35A, ARG133C, ARG143C, ARG146C, ARG151C, ARG19A, ARG204C, ARG257C, ARG262C, ARG5A, ARG6A, ARG7A, ASP17A, ASP39A, ASP73C, CYS141C, GLN260C, GLN50C, GLU145C, GLU148C, GLU14A, GLU261C, GLU265C, GLU4A, GLY134C, GLY263C, GLY45C, GLY72C, ILE132C, ILE259C, LEU135C, LEU137C, LEU18A, LEU258C, LEU8A, PRO10A, PRO11A, PRO139C, PRO16A, PRO31A, PRO43C, SER12A, SER136C, THR142C, THR30A, THR41C, THR42C, THR44C, THR47C, TRP264C, TRP46C, TYR15A, TYR34A, TYR9A, VAL149C, VAL152C, VAL33A
• A-D: ALA13D, ALA140A, ALA144A, ALA156A, ALA32D, ALA35D, ARG133A, ARG143A, ARG151A, ARG19D, ARG204A, ARG257A, ARG262A, ARG36D, ARG5D, ARG6D, ARG7D, ASP155A, ASP17D, ASP73A, CYS141A, GLN260A, GLN50A, GLU145A, GLU148A, GLU14D, GLU256A, GLU261A, GLU265A, GLU4D, GLY134A, GLY159A, GLY263A, GLY45A, GLY72A, ILE132A, ILE259A, LEU135A, LEU137A, LEU18D, LEU258A, LEU29D, LEU8D, PHE266A, PRO10D, PRO11D, PRO16D, PRO31D, PRO43A, SER12D, SER136A, THR142A, THR30D, THR42A, THR44A, THR47A, TRP264A, TRP46A, TYR15D, TYR34D, TYR9D, VAL149A, VAL152A, VAL33D
• A-E: ALA13A, ALA13E, ALA144A, ALA144E, ALA199A, ALA199E, ALA1A, ALA203A, ALA203E, ALA209A, ALA209E, ALA2A, ALA2E, ARG143A, ARG143E, ARG146A, ARG146E, ARG147A, ARG147E, ARG151A, ARG151E, ARG170A, ARG170E, ARG19A, ARG19E, ARG204A, ARG204E, ARG210A, ARG210E, ARG6A, ARG6E, ASN58A, ASN58E, ASP17A, ASP17E, ASP205A, ASP205E, ASP208A, ASP208E, ASP49A, ASP49E, ASP57A, ASP57E, CYS141A, CYS141E, CYS38A, CYS38E, GLN50A, GLN50E, GLN53A, GLN53E, GLU145A, GLU145E, GLU148A, GLU148E, GLU14A, GLU14E, GLU173A, GLU173E, GLY134A, GLY134E, GLY201A, GLY201E, GLY55A, GLY55E, HIS21A, HIS21E, ILE52A, ILE52E, LEU135A, LEU135E, LEU171A, LEU171E, LEU18A, LEU18E, LEU196A, LEU196E, LEU29A, LEU29E, LEU48A, LEU48E, LYS191A, LYS191E, LYS20A, LYS20E, MET174A, MET174E, MET25A, MET25E, PRO10A, PRO10E, PRO11A, PRO11E, PRO16A, PRO16E, PRO195A, PRO195E, PRO207A, PRO207E, PRO43A, PRO43E, PRO59A, PRO59E, SER12A, SER12E, SER136A, SER136E, SER172A, SER172E, THR142A, THR142E, THR175E, THR198A, THR198E, THR44A, THR44E, THR54A, THR54E, TRP206A, TRP206E, TRP264A, TRP264E, TYR15A, TYR15E, TYR34A, TYR34E, TYR9A, TYR9E, VAL149A, VAL149E, VAL152A, VAL152E, VAL56A, VAL56E
• A-F: ARG5A, ARG5F, ARG7A, ARG7F, GLU4A, GLU4F
• A-G: ALA13A, ALA13G, ALA1A, ALA1G, ALA2A, ALA2G, ALA35A, ALA35G, ARG36G, ARG5A, ARG5G, ARG6A, ARG6G, ARG7A, ARG7G, ASP39A, ASP39G, ASP49A, ASP49G, CYS38A, CYS38G, GLN50A, GLN50G, GLU14A, GLU14G, GLU4A, GLU4G, GLY45A, GLY45G, LEU37A, LEU37G, LEU48A, LEU48G, LEU8A, LEU8G, LYS40A, LYS40G, PRO10A, PRO10G, PRO11A, PRO11G, SER12A, SER12G, SER3A, SER3G, THR41A, THR41G, THR42A, THR42G, THR44A, THR44G, THR47A, THR47G, TRP46A, TRP46G, TYR34A, TYR34G, TYR9A, TYR9G
• A-H: ALA144A, ALA144H, ALA209A, ALA209H, ARG143A, ARG143H, ARG147A, ARG147H, ARG151A, ARG151H, ARG170A, ARG170H, ARG262A, ARG262H, ASP155A, ASP155H, ASP208A, ASP208H, GLU148A, GLU148H, GLU150A, GLU150H, GLU173H, GLU261A, GLY263A, GLY263H, SER158A, SER172A, SER172H, TRP264A, TRP264H, VAL149H, VAL152A, VAL152H, VAL153A, VAL154A
• B-C: ALA13C, ALA140B, ALA144B, ALA156B, ALA32C, ALA35C, ARG133B, ARG143B, ARG146B, ARG151B, ARG19C, ARG204B, ARG257B, ARG262B, ARG36C, ARG5C, ARG6C, ARG7C, ASP155B, ASP17C, ASP73B, CYS141B, GLN260B, GLN50B, GLU145B, GLU148B, GLU14C, GLU256B, GLU261B, GLU265B, GLU4C, GLY134B, GLY159B, GLY263B, GLY45B, GLY72B, ILE132B, ILE259B, LEU135B, LEU137B, LEU18C, LEU258B, LEU29C, LEU8C, PHE266B, PRO10C, PRO11C, PRO16C, PRO31C, PRO43B, SER12C, SER136B, THR142B, THR30C, THR42B, THR44B, TRP264B, TRP46B, TYR15C, TYR34C, TYR9C, VAL149B, VAL152B, VAL33C
• B-D: ALA13B, ALA140D, ALA144D, ALA32B, ALA35B, ARG133D, ARG143D, ARG146D, ARG151D, ARG19B, ARG204D, ARG257D, ARG262D, ARG5B, ARG6B, ARG7B, ASP17B, ASP39B, ASP73D, CYS141D, GLN260D, GLN50D, GLU145D, GLU148D, GLU14B, GLU261D, GLU265D, GLU4B, GLY134D, GLY263D, GLY45D, GLY72D, ILE132D, ILE259D, LEU135D, LEU137D, LEU18B, LEU258D, LEU8B, PRO10B, PRO11B, PRO139D, PRO16B, PRO31B, PRO43D, SER12B, SER136D, THR142D, THR30B, THR42D, THR44D, TRP264D, TRP46D, TYR15B, TYR34B, TYR9B, VAL149D, VAL152D
• B-E: ALA2B, ARG5B, ARG5E, ARG7B, ARG7E, GLU4B, GLU4E
• B-F: ALA13B, ALA13F, ALA144B, ALA144F, ALA199B, ALA199F, ALA1F, ALA203B, ALA203F, ALA209B, ALA209F, ARG143B, ARG143F, ARG146B, ARG146F, ARG147B, ARG147F, ARG151B, ARG151F, ARG170B, ARG170F, ARG19B, ARG19F, ARG204B, ARG204F, ARG210B, ARG210F, ARG6B, ARG6F, ASN58B, ASN58F, ASP17B, ASP17F, ASP205B, ASP205F, ASP208B, ASP208F, ASP49B, ASP49F, ASP57B, ASP57F, CYS141B, CYS141F, CYS38B, CYS38F, GLN50B, GLN50F, GLN53B, GLN53F, GLU145B, GLU145F, GLU148B, GLU148F, GLU14B, GLU14F, GLU173B, GLU173F, GLY134B, GLY134F, GLY201B, GLY201F, GLY55F, HIS21B, HIS21F, ILE52B, ILE52F, LEU135B, LEU135F, LEU171B, LEU171F, LEU18B, LEU18F, LEU196B, LEU196F, LEU29B, LEU29F, LEU48B, LEU48F, LYS191B, LYS191F, LYS20B, LYS20F, MET174B, MET174F, MET25B, MET25F, PRO10B, PRO10F, PRO11B, PRO11F, PRO16B, PRO16F, PRO195B, PRO195F, PRO207B, PRO207F, PRO43B, PRO59B, PRO59F, SER12B, SER12F, SER136B, SER136F, SER172B, SER172F, THR142B, THR142F, THR175B, THR175F, THR198B, THR198F, THR44F, THR54B, THR54F, TRP206B, TRP206F, TRP264B, TRP264F, TYR15B, TYR15F, TYR34B, TYR34F, TYR9B, TYR9F, VAL149B, VAL149F, VAL56B, VAL56F
• B-G: ALA144B, ALA144G, ALA156G, ALA209B, ALA209G, ARG143B, ARG143G, ARG147B, ARG147G, ARG151B, ARG151G, ARG170B, ARG170G, ARG262B, ARG262G, ASP155B, ASP155G, ASP208B, ASP208G, GLU145B, GLU148B, GLU148G, GLU150G, GLU261B, GLY263B, GLY263G, SER172B, SER172G, TRP264B, TRP264G, VAL149B, VAL152B, VAL152G, VAL153G, VAL154G
• B-H: ALA13B, ALA13H, ALA1B, ALA1H, ALA2B, ALA2H, ALA35B, ALA35H, ARG5B, ARG5H, ARG6B, ARG6H, ARG7B, ARG7H, ASP39B, ASP39H, ASP49B, ASP49H, CYS38B, CYS38H, GLN50B, GLN50H, GLU14B, GLU14H, GLU4B, GLU4H, GLY45B, GLY45H, LEU37B, LEU37H, LEU48B, LEU48H, LEU8B, LEU8H, LYS40B, LYS40H, PHE80H, PRO10B, PRO10H, PRO11B, PRO11H, PRO43B, SER12B, SER12H, SER3B, SER3H, THR41B, THR41H, THR42B, THR42H, THR44B, THR44H, THR47B, THR47H, TRP46B, TRP46H, TYR34B, TYR34H, TYR9B, TYR9H
• C-E: ALA144C, ALA144E, ALA209C, ALA209E, ARG147C, ARG147E, ARG151C, ARG151E, ARG170C, ARG170E, ARG262C, ARG262E, ASP155C, ASP155E, ASP208C, ASP208E, GLU148C, GLU148E, GLU150C, GLU150E, GLU173C, GLU173E, GLY263C, GLY263E, LEU135C, SER172C, SER172E, TRP264C, TRP264E, VAL149C, VAL152C, VAL152E, VAL154E
• C-F: ALA13C, ALA13F, ALA1C, ALA1F, ALA2C, ALA2F, ALA35C, ALA35F, ARG5C, ARG5F, ARG6C, ARG6F, ARG7C, ARG7F, ASP39C, ASP39F, ASP49C, ASP49F, CYS38C, CYS38F, GLN50C, GLN50F, GLU14C, GLU14F, GLU4C, GLU4F, GLY45C, GLY45F, LEU37C, LEU37F, LEU48C, LEU48F, LEU8C, LEU8F, LYS40C, LYS40F, PHE80C, PHE80F, PRO10C, PRO10F, PRO11C, PRO11F, SER12C, SER12F, SER3C, SER3F, THR41C, THR41F, THR42C, THR42F, THR44C, THR44F, THR47C, THR47F, TRP46C, TRP46F, TYR34C, TYR34F, TYR9C, TYR9F
• C-G: ALA13C, ALA13G, ALA144C, ALA144G, ALA199C, ALA199G, ALA1C, ALA1G, ALA203C, ALA203G, ALA209C, ALA209G, ALA2G, ARG143C, ARG143G, ARG146C, ARG146G, ARG147C, ARG147G, ARG151C, ARG151G, ARG170C, ARG170G, ARG19C, ARG19G, ARG204C, ARG204G, ARG210C, ARG210G, ARG6C, ARG6G, ASN58C, ASN58G, ASP17C, ASP17G, ASP205C, ASP205G, ASP208C, ASP208G, ASP49C, ASP49G, ASP57C, ASP57G, CYS141C, CYS141G, CYS38C, CYS38G, GLN50C, GLN50G, GLN53C, GLN53G, GLU145C, GLU145G, GLU148C, GLU148G, GLU14C, GLU14G, GLU173C, GLU173G, GLY134C, GLY134G, GLY201C, GLY201G, HIS21C, HIS21G, ILE52C, ILE52G, LEU135C, LEU135G, LEU171C, LEU171G, LEU18C, LEU18G, LEU29C, LEU29G, LEU48C, LEU48G, LYS191C, LYS191G, LYS20C, LYS20G, MET174C, MET174G, MET25C, MET25G, PRO10C, PRO10G, PRO11C, PRO11G, PRO16C, PRO16G, PRO195C, PRO195G, PRO207C, PRO207G, PRO43C, PRO43G, PRO59C, PRO59G, SER12C, SER12G, SER136C, SER136G, SER172C, SER172G, THR142C, THR142G, THR175G, THR198C, THR198G, THR44C, THR54C, THR54G, TRP206C, TRP206G, TRP264C, TRP264G, TYR15C, TYR15G, TYR34C, TYR34G, TYR9C, TYR9G, VAL149C, VAL149G, VAL152C, VAL152G, VAL56C, VAL56G
• C-H: ALA2C, ALA2H, ARG5C, ARG5H, ARG7C, ARG7H, GLU4C, GLU4H, SER3H
• D-E: ALA13D, ALA13E, ALA1D, ALA1E, ALA2D, ALA2E, ALA35D, ALA35E, ARG5D, ARG5E, ARG6D, ARG6E, ARG7D, ARG7E, ASP39D, ASP39E, ASP49D, ASP49E, CYS38D, CYS38E, GLN50D, GLN50E, GLU14D, GLU14E, GLU4D, GLU4E, GLY45D, GLY45E, LEU37E, LEU48D, LEU48E, LEU8D, LEU8E, LYS40D, LYS40E, PHE80D, PRO10D, PRO10E, PRO11D, PRO11E, PRO43D, PRO43E, SER12D, SER12E, SER3D, SER3E, THR41D, THR41E, THR42D, THR42E, THR44D, THR44E, THR47D, THR47E, TRP46D, TRP46E, TYR34D, TYR34E, TYR9D, TYR9E
• D-F: ALA144D, ALA144F, ALA209D, ALA209F, ARG147D, ARG147F, ARG151D, ARG151F, ARG170D, ARG170F, ARG262D, ARG262F, ASP155D, ASP155F, ASP208D, ASP208F, GLU148D, GLU148F, GLU150D, GLU150F, GLU173D, GLU173F, GLY263D, GLY263F, SER172D, SER172F, TRP264D, TRP264F, VAL152D, VAL152F, VAL154D, VAL154F
• D-G: ALA2D, ARG5D, ARG5G, ARG7G, GLU4G, SER3D
• D-H: ALA13D, ALA13H, ALA144D, ALA144H, ALA199D, ALA199H, ALA203D, ALA203H, ALA209D, ALA209H, ARG143D, ARG143H, ARG146D, ARG146H, ARG147D, ARG147H, ARG151D, ARG151H, ARG170D, ARG170H, ARG19D, ARG19H, ARG204D, ARG204H, ARG210D, ARG210H, ARG6D, ARG6H, ASN58D, ASN58H, ASP17D, ASP17H, ASP205D, ASP205H, ASP208D, ASP208H, ASP49D, ASP49H, ASP57D, ASP57H, CYS141D, CYS141H, CYS38D, CYS38H, GLN50D, GLN50H, GLN53D, GLN53H, GLU145D, GLU145H, GLU148D, GLU148H, GLU14D, GLU14H, GLU173D, GLU173H, GLY134D, GLY134H, GLY201D, GLY201H, GLY55D, HIS21D, HIS21H, ILE52D, ILE52H, LEU135D, LEU135H, LEU171D, LEU171H, LEU18D, LEU18H, LEU196D, LEU29D, LEU29H, LEU48D, LEU48H, LYS191D, LYS191H, LYS20D, LYS20H, MET174D, MET174H, MET25D, MET25H, PRO10D, PRO10H, PRO11D, PRO11H, PRO16D, PRO16H, PRO195D, PRO195H, PRO207D, PRO207H, PRO59D, PRO59H, SER12D, SER12H, SER136D, SER136H, SER172D, SER172H, THR142D, THR142H, THR175D, THR175H, THR198D, THR198H, THR44D, THR54D, THR54H, TRP206D, TRP206H, TRP264D, TRP264H, TYR15D, TYR15H, TYR34D, TYR34H, TYR9D, TYR9H, VAL149D, VAL149H, VAL152D, VAL56D, VAL56H
• E-G: ALA13G, ALA140E, ALA144E, ALA32G, ALA35G, ARG133E, ARG143E, ARG146E, ARG151E, ARG19G, ARG204E, ARG262E, ARG5G, ARG6G, ARG7G, ASP17G, ASP73E, CYS141E, GLN260E, GLN50E, GLU145E, GLU148E, GLU14G, GLU261E, GLU265E, GLU4G, GLY134E, GLY263E, GLY45E, GLY72E, ILE132E, ILE259E, LEU135E, LEU137E, LEU18G, LEU258E, LEU8G, PRO10G, PRO11G, PRO16G, PRO31G, PRO43E, SER12G, SER136E, THR142E, THR30G, THR41E, THR42E, THR44E, TRP264E, TRP46E, TYR15G, TYR34G, TYR9G, VAL149E, VAL152E
• E-H: ALA13E, ALA140H, ALA144H, ALA156H, ALA32E, ALA35E, ARG133H, ARG143H, ARG146H, ARG19E, ARG204H, ARG257H, ARG262H, ARG5E, ARG6E, ARG7E, ASP155H, ASP17E, ASP73H, CYS141H, GLN260H, GLN50H, GLU145H, GLU148H, GLU14E, GLU256H, GLU261H, GLU265H, GLU4E, GLY134H, GLY159H, GLY263H, GLY45H, GLY72H, ILE132H, ILE259H, LEU135H, LEU137H, LEU18E, LEU258H, LEU29E, LEU8E, PHE266H, PRO10E, PRO11E, PRO139H, PRO16E, PRO31E, PRO43H, SER12E, SER136H, THR142H, THR30E, THR41H, THR42H, THR44H, THR47H, TRP264H, TRP46H, TYR15E, TYR34E, TYR9E, VAL149H, VAL152H, VAL33E
• F-G: ALA13F, ALA140G, ALA144G, ALA156G, ALA32F, ALA35F, ARG133G, ARG143G, ARG146G, ARG151G, ARG19F, ARG204G, ARG257G, ARG262G, ARG5F, ARG6F, ARG7F, ASP155G, ASP17F, ASP73G, CYS141G, GLN260G, GLN50G, GLU145G, GLU148G, GLU14F, GLU256G, GLU261G, GLU265G, GLU4F, GLY134G, GLY159G, GLY263G, GLY45G, GLY72G, ILE132G, ILE259G, LEU135G, LEU137G, LEU18F, LEU258G, LEU29F, LEU8F, PHE266G, PRO10F, PRO11F, PRO139G, PRO16F, PRO31F, PRO43G, SER12F, SER136G, THR142G, THR30F, THR41G, THR42G, THR44G, TRP264G, TRP46G, TYR15F, TYR34F, TYR9F, VAL149G, VAL152G, VAL33F
• F-H: ALA13H, ALA140F, ALA144F, ALA32H, ALA35H, ARG133F, ARG143F, ARG146F, ARG151F, ARG19H, ARG204F, ARG257F, ARG262F, ARG5H, ARG6H, ARG7H, ASP17H, ASP73F, CYS141F, GLN260F, GLN50F, GLU145F, GLU148F, GLU14H, GLU261F, GLU265F, GLU4H, GLY134F, GLY263F, GLY45F, GLY72F, ILE132F, ILE259F, LEU135F, LEU18H, LEU258F, LEU8H, PRO10H, PRO11H, PRO16H, PRO31H, PRO43F, SER12H, SER136F, SER3H, THR142F, THR30H, THR41F, THR42F, THR44F, TRP264F, TRP46F, TYR15H, TYR34H, TYR9H, VAL149F, VAL152F