3IW4

crystal structure of pkc alpha in complex with nvp-aeb071

• Total interactions analyzed: 3
• Total true interactions: 2
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 119
  • Norm. En. per Res.: -1.9983
• 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	-25.4277	-11.9462	-200.418	-237.792	119	15	1	8968	0	50	49
B-C	-7.2033	0.9274	-122.951	-129.2269	67	11	1	5201	1	26	31

Interface residues

• A-B: ALA511A, ALA533B, ALA646A, ARG496A, ARG632B, ASN468B, ASN647A, ASP373A, ASP378A, ASP379A, ASP380A, ASP424B, ASP467B, ASP503B, ASP539B, ASP542A, ASP542B, ASP544A, ASP627B, ASP641A, ASP641B, ASP649A, ASP652A, CYS383A, CYS499A, GLN377A, GLN430B, GLN431B, GLN513A, GLN535B, GLN634B, GLN642A, GLN650A, GLU382A, GLU497A, GLU530B, GLU541A, GLU541B, GLU543A, GLU543B, GLU545A, GLU545B, GLY346B, GLY348B, GLY351B, GLY433B, GLY492A, GLY500A, GLY500B, GLY534B, GLY540A, GLY540B, GLY633B, ILE376A, ILE429B, ILE505A, ILE509A, ILE510A, ILE645A, ILE648A, LEU345B, LEU425B, LEU464B, LEU466B, LEU527B, LEU546A, LEU546B, LEU637B, LEU643A, LEU643B, LYS347B, LYS352B, LYS371B, LYS434B, LYS465B, LYS486A, LYS628B, MET343B, MET426B, MET531B, PHE341B, PHE350B, PHE498A, PHE538B, PHE547A, PHE629B, PHE630B, PRO502A, PRO502B, PRO514A, PRO536B, PRO537B, PRO635B, PRO639B, PRO640B, SER349B, SER651A, THR409A, THR494A, THR495A, THR501A, THR501B, THR631B, TYR427B, TYR504B, TYR512A, TYR515A, TYR529B, VAL344B, VAL353B, VAL375A, VAL381A, VAL410A, VAL469B, VAL493A, VAL526B, VAL636B, VAL644A, VAL644B
• B-C: ALA506B, ALA511B, ALA578B, ARG358C, ARG496B, ARG580B, ARG608C, ASN330C, ASN554B, ASN607C, ASN660C, ASP332C, ASP544B, GLN402C, GLN513B, GLN548B, GLN662C, GLN669C, GLU362C, GLU363C, GLU474C, GLU508B, GLU545B, GLU552B, GLU606C, GLU609C, GLY360C, HIS553B, HIS576B, HIS665C, ILE509B, ILE510B, ILE550B, ILE667C, LEU331C, LEU561B, LEU668C, LYS559B, LYS570B, LYS575B, LYS579B, LYS604C, MET551B, PHE538B, PHE547B, PHE663C, PRO398C, PRO507B, PRO514B, PRO558B, PRO577B, PRO661C, PRO666C, SER518B, SER549B, SER556B, SER670C, THR361C, THR574B, TRP522B, TYR512B, TYR515B, TYR529B, TYR557B, VAL555B, VAL566B, VAL664C