1OSN

crystal structure of varicella zoster virus thymidine kinase in complex with bvdu-mp and adp

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 180
  • Norm. En. per Res.: -3.1698
• 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	-44.5212	-86.3862	-439.651	-570.5584	180	40	19	20029	6	30	30
A-C	-6.8206	16.9096	-29.161	-19.072	30	1	0	1144	0	8	9
A-D	-11.4814	3.0442	-34.8659	-43.3031	58	5	0	2905	0	14	16
B-C	0.0	-18.9744	-92.1957	-111.1701	78	0	2	4393	3	21	27
B-D	-7.5213	16.8774	-30.1706	-20.8145	30	1	0	1133	0	8	9
C-D	-43.7245	-83.0122	-442.976	-569.7127	182	35	19	19827	6	30	31

Interface residues

• A-B: ALA102A, ALA102B, ALA106A, ALA106B, ALA152A, ALA152B, ALA153A, ALA153B, ALA163A, ALA163B, ALA278A, ALA278B, ALA335A, ALA335B, ALA57A, ALA57B, ALA61A, ALA61B, ALA82A, ALA82B, ALA87A, ALA87B, ALA98A, ALA98B, ARG71A, ARG71B, ARG84A, ARG84B, ASN286A, ASN286B, ASN334A, ASN334B, ASN55A, ASN55B, ASP338A, ASP338B, ASP60A, ASP60B, ASP76A, ASP76B, ASP81A, ASP81B, CYS267A, CYS267B, CYS63B, CYS94A, CYS94B, GLN337A, GLN337B, GLN83A, GLN83B, GLU265A, GLU265B, GLU282A, GLU282B, GLU331A, GLU331B, GLU59A, GLU59B, GLU80A, GLU80B, GLY156A, GLY156B, GLY268A, GLY268B, GLY280A, GLY280B, GLY58A, GLY58B, GLY64A, GLY64B, HIS101A, HIS101B, HIS88A, HIS88B, HIS97A, HIS97B, ILE104A, ILE104B, ILE273A, ILE273B, ILE328A, ILE328B, ILE46A, ILE46B, ILE99A, ILE99B, LEU107A, LEU107B, LEU154A, LEU154B, LEU157A, LEU157B, LEU158A, LEU158B, LEU161A, LEU161B, LEU263A, LEU263B, LEU266A, LEU266B, LEU274A, LEU274B, LEU276A, LEU276B, LEU284A, LEU284B, LEU329A, LEU329B, LEU332A, LEU332B, LEU56A, LEU56B, LEU85A, LEU85B, LEU92A, LEU92B, LYS103A, LYS103B, MET100A, MET100B, MET149A, MET149B, MET281A, MET281B, PHE159A, PHE159B, PHE89A, PHE89B, PHE93B, PRO151A, PRO151B, PRO155A, PRO155B, PRO162A, PRO162B, PRO264A, PRO264B, PRO275A, PRO275B, PRO49A, PRO49B, PRO96A, PRO96B, SER150A, SER150B, SER51A, SER51B, SER78A, SER78B, SER91A, SER91B, SER95A, SER95B, THR136A, THR136B, THR160A, THR160B, THR283A, THR283B, THR68A, THR68B, THR86A, THR86B, TRP277A, TRP277B, TRP279A, TRP279B, TRP53A, TRP53B, TYR144A, TYR144B, TYR52A, TYR52B, VAL333A, VAL333B, VAL336A, VAL336B, VAL77A, VAL77B
• A-C: ALA57A, ALA82A, ARG71A, ARG72A, ARG84C, ASN55A, ASN74A, ASP60A, ASP76A, ASP81A, ASP81C, CYS267C, GLU265C, GLU269C, GLU59A, GLU80A, GLU80C, GLY268C, GLY271C, GLY58A, GLY75A, LEU274C, PHE270C, PRO264C, PRO275C, PRO79A, PRO79C, SER78A, SER78C, VAL77A
• A-D: ALA57A, ALA57D, ALA61A, ARG183D, ARG54A, ARG54D, ARG71A, ARG71D, ASN55A, ASN55D, ASN74A, ASN74D, ASP338A, ASP338D, ASP60A, ASP60D, ASP76A, ASP76D, CYS63A, CYS63D, GLN337A, GLU192A, GLU59A, GLU59D, GLY58A, GLY58D, GLY64A, GLY64D, GLY67A, GLY67D, GLY75A, GLY75D, ILE62A, ILE62D, LEU50A, LEU50D, LEU56A, LEU56D, LEU73A, LEU73D, SER182D, SER185A, SER51A, SER51D, THR193A, THR193D, THR68A, THR68D, THR70A, THR70D, TYR52A, TYR52D, TYR66A, TYR66D, VAL184A, VAL184D, VAL77A, VAL77D
• B-C: ALA152B, ALA152C, ALA82B, ALA82C, ARG71B, ARG71C, ARG72B, ARG72C, ARG84B, ARG84C, ASN232B, ASN232C, ASN74B, ASN74C, ASP233B, ASP233C, ASP76B, ASP76C, ASP81B, ASP81C, CYS231B, CYS231C, CYS267B, CYS267C, GLN237B, GLN237C, GLN83B, GLN83C, GLU265B, GLU265C, GLU269B, GLU269C, GLU80B, GLU80C, GLY147B, GLY147C, GLY268B, GLY268C, GLY271B, GLY271C, GLY75B, GLY75C, LEU263B, LEU263C, LEU266B, LEU266C, LEU73B, LEU73C, LYS236B, LYS236C, LYS241B, LYS241C, LYS262B, LYS262C, PHE230B, PHE230C, PHE235B, PHE235C, PHE270B, PHE270C, PRO151B, PRO151C, PRO264B, PRO264C, PRO79B, PRO79C, SER150B, SER150C, SER229B, SER229C, SER78B, SER78C, TYR144B, TYR144C, VAL234B, VAL234C, VAL77B, VAL77C
• B-D: ALA57D, ALA82D, ARG71D, ARG72D, ARG84B, ASN55D, ASN74D, ASP60D, ASP76D, ASP81B, ASP81D, CYS267B, GLU265B, GLU269B, GLU59D, GLU80B, GLU80D, GLY268B, GLY271B, GLY58D, GLY75D, LEU274B, PHE270B, PRO264B, PRO275B, PRO79B, PRO79D, SER78B, SER78D, VAL77D
• C-D: ALA102C, ALA102D, ALA106C, ALA106D, ALA152C, ALA152D, ALA153C, ALA153D, ALA163C, ALA163D, ALA278C, ALA278D, ALA335C, ALA335D, ALA57C, ALA57D, ALA61C, ALA61D, ALA82C, ALA82D, ALA87C, ALA87D, ALA98C, ALA98D, ARG71C, ARG71D, ARG84C, ARG84D, ASN286C, ASN286D, ASN334C, ASN334D, ASN55C, ASN55D, ASP338C, ASP338D, ASP60C, ASP60D, ASP76C, ASP76D, ASP81C, ASP81D, CYS267C, CYS267D, CYS63C, CYS63D, CYS94C, CYS94D, GLN337C, GLN337D, GLN83C, GLN83D, GLU265C, GLU265D, GLU282C, GLU282D, GLU331C, GLU331D, GLU59C, GLU59D, GLU80C, GLU80D, GLY156C, GLY156D, GLY268C, GLY268D, GLY280C, GLY280D, GLY58C, GLY58D, GLY64C, GLY64D, GLY67C, GLY67D, HIS101C, HIS101D, HIS88C, HIS88D, HIS97C, HIS97D, ILE104C, ILE104D, ILE273C, ILE273D, ILE328C, ILE328D, ILE46C, ILE46D, ILE99C, ILE99D, LEU107C, LEU107D, LEU154C, LEU154D, LEU157C, LEU157D, LEU158C, LEU158D, LEU161C, LEU161D, LEU263C, LEU263D, LEU266C, LEU266D, LEU274C, LEU274D, LEU276C, LEU276D, LEU284C, LEU284D, LEU329C, LEU329D, LEU332C, LEU332D, LEU56C, LEU56D, LEU85C, LEU85D, LEU92C, LEU92D, LYS103C, LYS103D, MET100C, MET100D, MET149C, MET149D, MET281C, MET281D, PHE159C, PHE159D, PHE89C, PHE89D, PRO151C, PRO151D, PRO155C, PRO155D, PRO162C, PRO162D, PRO264C, PRO264D, PRO275C, PRO275D, PRO49C, PRO49D, PRO96C, PRO96D, SER150C, SER150D, SER51C, SER51D, SER78C, SER78D, SER91C, SER91D, SER95C, SER95D, THR136C, THR136D, THR160C, THR160D, THR283C, THR283D, THR68C, THR68D, THR86C, THR86D, TRP277C, TRP277D, TRP279C, TRP279D, TRP53C, TRP53D, TYR144C, TYR144D, TYR52C, TYR52D, VAL333C, VAL333D, VAL336C, VAL336D, VAL77C, VAL77D