3LMI

crystal structure of the inactive alpha-kinase domain of myosin heavy chain kinase a (d766a) complex with atp

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 112
  • Norm. En. per Res.: -2.2394
• 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-B	-29.8826	-16.8033	-204.125	-250.8109	112	3	0	8916	1	27	27
A-D	0.0	0.0	-0.0018	-0.0018	2	0	0	2	0	2	0
B-C	0.0	0.0	-0.1156	-0.1156	3	0	0	36	0	2	0
B-D	-10.6706	2.4774	-46.7253	-54.9185	54	3	2	2671	1	33	22
C-D	-28.5397	-13.8033	-199.816	-242.159	112	3	0	8803	1	28	27

Interface residues

• A-B: ARG574A, ARG574B, ARG671A, ARG671B, ASN570A, ASN570B, ASN629A, ASN629B, ASN630A, ASN630B, ASN675A, ASN675B, ASN678A, ASN678B, ASN749A, ASN749B, ASP566A, ASP566B, ASP672A, ASP672B, ASP773B, ASP804A, ASP804B, ASP806A, ASP806B, CYS670A, CYS670B, GLN679A, GLN679B, GLN751A, GLN751B, GLU564A, GLU564B, GLU631A, GLU631B, GLU687A, GLU746A, GLU746B, GLY674A, GLY674B, HIS742B, ILE568A, ILE568B, ILE569A, ILE569B, ILE573A, ILE573B, ILE623A, ILE623B, ILE626A, ILE626B, LEU575A, LEU575B, LEU747A, LEU747B, LEU805A, LEU805B, LEU809B, LYS571A, LYS571B, LYS628A, LYS628B, LYS676A, LYS676B, LYS680A, LYS680B, LYS681A, LYS681B, LYS685A, LYS685B, LYS750A, LYS750B, LYS808A, LYS808B, MET668A, MET668B, MET752A, MET752B, PHE677A, PHE677B, PHE740A, PHE743A, PHE743B, PHE777A, PHE777B, PRO567A, PRO567B, PRO625A, PRO625B, PRO772A, PRO772B, SER624A, SER624B, SER627A, SER627B, SER748A, SER748B, THR634A, THR634B, THR744A, THR744B, THR771A, THR771B, TRP572A, TRP572B, TRP673A, TRP673B, TYR745A, TYR745B, VAL669A, VAL669B, VAL807B
• A-D: LYS681A, SER554D
• B-C: LYS681C, SER553B, SER554B
• B-D: ARG583D, ASP761B, ASP761D, GLU555B, GLU555D, GLU582B, GLU582D, GLU719B, GLU719D, GLY718B, GLY718D, HIS596B, HIS596D, LEU689B, LEU689D, LEU715B, LEU715D, LEU716B, LEU716D, LEU763B, LEU763D, LYS580B, LYS580D, LYS584B, LYS584D, LYS637B, LYS637D, LYS641B, LYS641D, LYS684B, LYS684D, LYS685B, LYS685D, LYS721B, PHE586B, PHE586D, PHE642B, PHE642D, PRO714B, PRO714D, THR597B, THR597D, THR634B, THR634D, THR640B, THR640D, VAL598B, VAL598D, VAL643B, VAL643D, VAL717B, VAL717D, VAL760B, VAL760D
• C-D: ARG574C, ARG574D, ARG671C, ARG671D, ASN570C, ASN570D, ASN629C, ASN629D, ASN630C, ASN630D, ASN675C, ASN675D, ASN678C, ASN678D, ASN749C, ASN749D, ASP566C, ASP566D, ASP672C, ASP672D, ASP773D, ASP804C, ASP804D, ASP806C, ASP806D, CYS670C, CYS670D, GLN679C, GLN679D, GLN751C, GLN751D, GLU564C, GLU564D, GLU631C, GLU631D, GLU687C, GLU746C, GLU746D, GLY674C, GLY674D, HIS742D, ILE568C, ILE568D, ILE569C, ILE569D, ILE573C, ILE573D, ILE623C, ILE623D, ILE626C, ILE626D, LEU575C, LEU575D, LEU747C, LEU747D, LEU805C, LEU805D, LEU809D, LYS571C, LYS571D, LYS628C, LYS628D, LYS665D, LYS676C, LYS676D, LYS680C, LYS680D, LYS681D, LYS685C, LYS750C, LYS750D, LYS808D, MET668C, MET668D, MET690D, MET752C, MET752D, PHE677C, PHE677D, PHE740C, PHE743C, PHE743D, PHE777C, PHE777D, PRO567C, PRO567D, PRO625C, PRO625D, PRO772C, PRO772D, SER624C, SER624D, SER627C, SER627D, SER748C, SER748D, THR744C, THR744D, THR771C, THR771D, TRP572C, TRP572D, TRP673C, TRP673D, TYR745C, TYR745D, VAL669C, VAL669D, VAL754C, VAL754D, VAL807C, VAL807D