3QC9

crystal structure of cross-linked bovine grk1 t8c/n480c double mutant complexed with adp and mg

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 102
  • Norm. En. per Res.: -3.6573
• 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	0.0	0.0	-28.0994	-28.0994	34	2	0	1247	0	11	14
A-D	-35.8953	-19.3843	-317.76	-373.0396	102	20	3	11920	4	26	28
B-C	-37.2911	-20.6321	-286.946	-344.8693	100	26	4	11642	4	26	27

Interface residues

• A-B: ALA101A, ALA101B, ALA109A, ALA109B, ARG453A, ARG453B, ASP100A, ASP100B, ASP454A, ASP454B, ASP99A, ASP99B, GLN105A, GLN105B, GLN108A, GLN108B, GLN459A, GLN459B, ILE455A, ILE455B, LEU102A, LEU102B, LEU465A, LEU465B, LYS106A, LYS106B, PRO104A, PRO104B, PRO289A, PRO289B, SER456A, SER456B, THR466A, THR466B
• A-D: ALA37A, ALA37D, ARG170A, ARG170D, ARG33A, ARG33D, ARG51A, ARG51D, ARG532A, ARG532D, ARG70A, ARG70D, ARG77A, ARG77D, ASN529A, ASN529D, ASP164A, ASP164D, ASP527A, ASP527D, CYS47A, CYS47D, GLN160A, GLN160D, GLN173A, GLN173D, GLN73A, GLN73D, GLN74A, GLN74D, GLN81A, GLN81D, GLU161A, GLU161D, GLU48A, GLU48D, GLU80A, GLU80D, GLY526A, GLY526D, HIS79A, HIS79D, LEU163A, LEU163D, LEU166A, LEU166D, LEU169A, LEU169D, LEU172A, LEU172D, LEU36A, LEU36D, LEU39A, LEU39D, LEU41A, LEU41D, LEU44A, LEU44D, LEU528A, LEU528D, LEU71A, LEU71D, LEU76A, LEU76D, LEU86A, LEU86D, LYS40A, LYS40D, LYS46A, LYS46D, LYS90A, LYS90D, PHE162A, PHE162D, PHE168A, PHE168D, PHE171A, PHE171D, PHE525A, PHE525D, PHE75A, PHE75D, PRO42A, PRO42D, PRO43A, PRO43D, PRO533A, PRO533D, SER165A, SER165D, SER45A, SER45D, THR78A, THR78D, TRP174A, TRP174D, TRP531A, TRP531D, TYR167A, TYR167D, VAL530A, VAL530D
• B-C: ALA37B, ALA37C, ARG170B, ARG170C, ARG33B, ARG33C, ARG51B, ARG51C, ARG532B, ARG532C, ARG70B, ARG70C, ARG77B, ARG77C, ASN529B, ASN529C, ASP164B, ASP164C, ASP527B, ASP527C, CYS47B, CYS47C, GLN160B, GLN160C, GLN173B, GLN173C, GLN73B, GLN73C, GLN74B, GLN74C, GLN81B, GLN81C, GLU161B, GLU161C, GLU48B, GLU48C, GLU80B, GLU80C, GLY526B, GLY526C, HIS79B, HIS79C, LEU163B, LEU163C, LEU166B, LEU166C, LEU169B, LEU169C, LEU172B, LEU172C, LEU36B, LEU36C, LEU39C, LEU41B, LEU41C, LEU44B, LEU44C, LEU528B, LEU528C, LEU71B, LEU71C, LEU76B, LEU76C, LEU86C, LYS40B, LYS40C, LYS46B, LYS46C, LYS90B, LYS90C, PHE162B, PHE162C, PHE168B, PHE168C, PHE171B, PHE171C, PHE525B, PHE525C, PHE75B, PHE75C, PRO42B, PRO42C, PRO43B, PRO43C, PRO533B, PRO533C, SER165B, SER165C, SER45B, SER45C, THR78B, THR78C, TRP174B, TRP174C, TRP531B, TRP531C, TYR167B, TYR167C, VAL530B, VAL530C