1NXK

crystal structure of staurosporine bound to map kap kinase 2

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 57
  • Norm. En. per Res.: -4.5019
• 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	-74.3117	-12.243	-170.055	-256.6097	57	14	4	6816	1	18	20
A-C	-84.5802	9.2373	-221.087	-296.4298	66	22	5	8860	1	19	23
A-D	-23.3344	-45.7363	-209.011	-278.0817	103	19	6	10129	3	29	27
B-C	-77.9097	0.0	-198.976	-276.8857	64	24	5	7874	0	19	21
C-D	0.0	0.0	-26.2151	-26.2151	38	1	0	1277	0	2	10

Interface residues

• A-B: ALA111B, ALA129A, ALA58A, ARG102A, ARG102B, ARG110B, ARG131A, ASN126A, ASN181B, ASN57A, ASP61A, ASP97A, CYS133A, GLN113B, GLN45B, GLN53A, GLN53B, GLN68A, GLU106B, GLU125A, GLU213B, GLY130A, GLY51B, HIS108B, HIS47B, ILE180B, ILE182B, ILE54A, ILE54B, ILE59A, ILE60A, ILE81A, LEU107B, LEU127A, LEU135A, LEU52B, LEU79A, LEU92A, LYS132A, LYS49B, LYS55A, LYS56A, LYS64A, PHE46B, PRO44B, SER112B, SER179B, SER50B, SER67A, THR66A, TRP109B, TYR124A, TYR128A, TYR176B, TYR63A, VAL48B, VAL65A
• A-C: ALA111A, ALA129C, ALA58C, ARG102A, ARG102C, ARG110A, ARG131C, ASN126C, ASN181A, ASN57C, ASP61C, ASP97C, CYS133C, GLN113A, GLN42A, GLN45A, GLN53A, GLN53C, GLN68C, GLU106A, GLU125C, GLU213A, GLY130C, GLY51A, HIS108A, HIS178A, HIS47A, ILE180A, ILE182A, ILE54A, ILE54C, ILE59C, ILE60C, ILE81C, LEU107A, LEU127C, LEU135C, LEU177A, LEU52A, LEU79C, LEU92C, LYS132C, LYS49A, LYS55C, LYS56C, LYS64C, LYS77C, LYS84C, PHE43A, PHE46A, PRO44A, SER112A, SER179A, SER50A, SER67C, THR214A, THR215A, THR66C, TRP109A, TYR124C, TYR128C, TYR176A, TYR63C, VAL48A, VAL65C, VAL69C
• A-D: ALA231A, ALA270D, ARG185D, ARG278D, ARG280D, ARG303D, ARG313A, ARG313D, ASN181A, ASN191D, ASN266D, ASN304A, ASN321A, ASP186D, ASP241D, ASP245D, CYS114A, CYS244D, GLN113A, GLN175A, GLN283D, GLN312A, GLN312D, GLN42A, GLN45A, GLU172A, GLU190D, GLU233A, GLU238A, GLU285D, GLU309A, GLU309D, GLU318A, GLY236A, GLY268D, GLY274D, GLY282D, HIS178A, HIS267D, HIS47A, ILE180A, ILE252D, ILE255D, ILE271D, ILE279D, ILE316A, ILE74D, LEU177A, LEU235A, LEU249D, LEU269D, LEU305D, LEU306D, LYS188D, LYS239A, LYS242A, LYS276D, LYS307A, LYS307D, PHE147D, PHE210D, PHE263D, PHE286D, PHE43A, PHE46A, PRO115A, PRO189D, PRO227A, PRO232A, PRO237A, PRO261D, PRO262D, PRO273D, PRO310A, PRO310D, PRO44A, SER179A, SER243A, SER243D, SER248D, SER265D, SER272D, THR214A, THR215A, THR277D, THR308D, THR311A, THR311D, THR315A, THR317A, TRP247D, TYR176A, TYR228A, TYR229A, TYR240A, TYR240D, TYR260D, TYR264D, TYR284D, VAL187D, VAL230A, VAL234A, VAL251D
• B-C: ALA111C, ALA129B, ALA58B, ARG102B, ARG110C, ARG131B, ASN126B, ASN181C, ASN57B, ASP61B, ASP62B, ASP97B, CYS133B, GLN113C, GLN41C, GLN42C, GLN45C, GLN53B, GLN53C, GLN68B, GLN80B, GLU106C, GLU125B, GLU213C, GLY130B, GLY51C, HIS108C, HIS47C, ILE180C, ILE182C, ILE54B, ILE54C, ILE59B, ILE60B, ILE81B, LEU107C, LEU127B, LEU135B, LEU52C, LEU79B, LEU92B, LYS132B, LYS49C, LYS55B, LYS56B, LYS64B, LYS84B, PHE43C, PHE46C, PHE82B, PRO44C, SER112C, SER179C, SER50C, SER67B, THR66B, TRP109C, TYR124B, TYR128B, TYR176C, TYR63B, VAL48C, VAL65B, VAL69B
• C-D: ALA129C, ALA129D, ALA270C, ALA270D, ARG131C, ARG131D, ARG280C, ARG280D, ASN266C, GLN96D, GLU354C, GLU355C, GLY130C, GLY130D, GLY268C, GLY268D, GLY274C, GLY274D, GLY71D, HIS267C, HIS267D, ILE271C, ILE271D, LEU269C, LEU269D, LEU72D, LYS276D, LYS77D, PRO273C, PRO273D, SER272C, SER272D, THR277C, THR277D, THR357C, TYR128C, TYR128D, VAL69D