3KRW

human grk2 in complex with gbetgamma subunits and balanol (soak)

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: B-G
  • Int. Res.: 178
  • Norm. En. per Res.: -3.6783
• Hub Node: A(1)

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	-61.4668	-64.7087	-287.801	-413.9765	124	13	5	12801	6	42	29
B-G	-84.83	-19.5383	-550.375	-654.7434	178	30	32	24296	2	57	53

Interface residues

• A-B: ALA231B, ALA56B, ALA596A, ALA60B, ALA650A, ALA654A, ALA73B, ALA92B, ARG150B, ARG314B, ARG52B, ARG587A, ARG625A, ARG660A, ARG669A, ARG96B, ASN119B, ASN230B, ASN313B, ASN586A, ASN666A, ASP118B, ASP163B, ASP186B, ASP228B, ASP246B, ASP290B, ASP291B, ASP312B, ASP558A, ASP76B, CYS103B, CYS148B, CYS149B, CYS204B, CYS271B, CYS317B, CYS559A, GLN598A, GLN655A, GLN656A, GLN659A, GLN75B, GLU589A, GLU604A, GLU605A, GLU653A, GLY115B, GLY116B, GLY144B, GLY162B, GLY272B, GLY53B, GLY556A, GLY77B, HIS142B, HIS54B, ILE229B, ILE270B, ILE273B, ILE560A, ILE58B, ILE93B, LEU117B, LEU146B, LEU190B, LEU555A, LEU55B, LEU600A, LEU601A, LEU657A, LEU95B, LYS557A, LYS57B, LYS663A, LYS665A, LYS667A, LYS78B, LYS89B, MET101B, MET188B, MET603A, MET61B, MET664A, PHE292B, PHE584A, PRO585A, PRO597A, PRO662A, PRO668A, PRO671A, PRO94B, SER147B, SER161B, SER189B, SER227B, SER245B, SER275B, SER316B, SER334B, SER599A, SER670A, SER74B, SER97B, SER98B, THR102B, THR143B, THR164B, THR274B, THR602A, TRP332B, TRP590A, TRP99B, TYR124B, TYR145B, TYR289B, TYR553A, TYR59B, TYR651A, VAL100B, VAL187B, VAL315B, VAL658A, VAL661A
• B-G: ALA10G, ALA11B, ALA12G, ALA21B, ALA23G, ALA240B, ALA24B, ALA257B, ALA26B, ALA28B, ALA299B, ALA305B, ALA326B, ALA33G, ALA34G, ALA35G, ALA39G, ALA43G, ALA45G, ALA56G, ARG13G, ARG19B, ARG219B, ARG22B, ARG256B, ARG27G, ARG283B, ARG46B, ARG48B, ARG49B, ARG62G, ARG68B, ARG8B, ASN16B, ASN237B, ASN239B, ASN24G, ASN340B, ASN35B, ASN36B, ASN59G, ASP20B, ASP254B, ASP258B, ASP26G, ASP27B, ASP298B, ASP322B, ASP323B, ASP36G, ASP38B, ASP48G, ASP5B, ASP83B, CYS218B, CYS25B, CYS41G, GLN11G, GLN13B, GLN17B, GLN18G, GLN220B, GLN259B, GLN32B, GLN44B, GLN6B, GLN9B, GLU10B, GLU12B, GLU17G, GLU22G, GLU260B, GLU3B, GLU42G, GLU47G, GLU58G, GLU63G, GLY182B, GLY238B, GLY282B, GLY319B, GLY324B, GLY41B, HIS183B, HIS44G, ILE18B, ILE25G, ILE28G, ILE338B, ILE33B, ILE37B, ILE43B, ILE9G, LEU14B, LEU15G, LEU19G, LEU210B, LEU252B, LEU255B, LEU261B, LEU284B, LEU286B, LEU300B, LEU308B, LEU30B, LEU37G, LEU4B, LEU50G, LEU51B, LEU51G, LEU70B, LEU7B, LYS14G, LYS15B, LYS209B, LYS20G, LYS23B, LYS280B, LYS29G, LYS301B, LYS32G, LYS46G, LYS64G, MET217B, MET21G, MET262B, MET325B, MET38G, MET45B, PHE180B, PHE222B, PHE235B, PHE241B, PHE253B, PHE278B, PHE61G, PHE66G, PHE67G, PRO194B, PRO236B, PRO39B, PRO49G, PRO53G, PRO55G, PRO60G, SER279B, SER281B, SER31B, SER31G, SER57G, SER67B, SER84B, SER8G, THR165B, THR181B, THR184B, THR221B, THR223B, THR29B, THR321B, THR34B, THR47B, THR52G, THR86B, THR87B, TRP211B, TRP339B, TRP63B, TYR264B, TYR40G, TYR85B, VAL16G, VAL296B, VAL30G, VAL320B, VAL327B, VAL40B, VAL54G