2I6A

human adenosine kinase in complex with 5'-deoxy-5- iodotubercidin

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 107
  • Norm. En. per Res.: -2.3485
• 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-C	-4.1913	1.3845	-27.8545	-30.6613	30	0	0	1722	0	30	21
A-D	-15.6606	53.4576	-185.015	-147.218	111	67	7	10896	0	25	31
B-C	-30.703	37.7994	-258.39	-251.2936	107	27	8	10211	0	25	26
B-D	-10.777	-0.2918	-35.5234	-46.5922	33	1	0	1932	0	30	21
C-D	0.0	0.0	-0.0007	-0.0007	3	0	0	2	0	2	6

Interface residues

• A-C: ASN116A, ASN116C, ASP93A, ASP93C, GLN115A, GLN115C, GLU114A, GLU114C, GLU117A, GLU117C, GLU97A, GLU97C, HIS149A, HIS149C, ILE92A, ILE92C, LEU152A, LEU152C, LYS100A, LYS100C, LYS148A, LYS148C, LYS154A, LYS154C, LYS94A, LYS94C, TYR112A, TYR112C, TYR113A, TYR113C
• A-D: ALA106A, ALA301D, ALA322A, ALA322D, ALA326A, ALA326D, ALA73A, ALA73D, ARG321A, ARG321D, ARG332A, ARG332D, ARG333A, ARG333D, ASN68D, ASP286D, ASP343A, ASP343D, CYS319A, CYS319D, CYS336A, CYS336D, GLN287D, GLN289A, GLN289D, GLN309A, GLN309D, GLN74A, GLN74D, GLN78A, GLN78D, GLN79A, GLN79D, GLU291A, GLU291D, GLU318A, GLU318D, GLU340A, GLU340D, GLU59A, GLY129A, GLY297D, GLY305A, GLY305D, GLY323A, GLY323D, GLY335A, GLY335D, HIS107A, HIS107D, HIS324A, HIS324D, HIS345A, HIS345D, HIS61A, HIS61D, HIS81A, HIS81D, ILE292A, ILE292D, ILE320A, ILE320D, ILE329A, ILE329D, ILE330A, ILE330D, ILE331A, ILE331D, ILE77A, ILE77D, LEU285A, LEU285D, LEU316D, LYS314A, LYS314D, LYS341A, LYS341D, LYS57A, LYS57D, LYS71A, LYS71D, MET76A, MET76D, PHE338A, PHE338D, PHE344A, PHE344D, PRO315D, PRO339A, PRO339D, PRO342A, PRO342D, SER308A, SER308D, SER328A, SER328D, THR317A, THR317D, THR334A, THR334D, THR337A, THR337D, TRP75A, TRP75D, TYR325A, TYR325D, VAL22A, VAL22D, VAL58A, VAL72A, VAL72D
• B-C: ALA106B, ALA322B, ALA322C, ALA326B, ALA326C, ALA73B, ALA73C, ARG321B, ARG321C, ARG332B, ARG332C, ARG333B, ARG333C, ASN68B, ASP343B, ASP343C, CYS319B, CYS319C, CYS336B, CYS336C, GLN287C, GLN289B, GLN289C, GLN309B, GLN309C, GLN74B, GLN74C, GLN78B, GLN78C, GLN79B, GLN79C, GLU291B, GLU291C, GLU318B, GLU318C, GLU340B, GLU340C, GLU59B, GLU59C, GLY305B, GLY305C, GLY323B, GLY323C, GLY335B, GLY335C, HIS107B, HIS107C, HIS324B, HIS324C, HIS345B, HIS345C, HIS61B, HIS61C, HIS81B, HIS81C, ILE292B, ILE292C, ILE320B, ILE320C, ILE329B, ILE329C, ILE330B, ILE330C, ILE331B, ILE331C, ILE77B, ILE77C, LEU285B, LEU285C, LYS102B, LYS314B, LYS314C, LYS341B, LYS341C, LYS57B, LYS57C, LYS71B, LYS71C, MET76B, MET76C, PHE338B, PHE338C, PHE344B, PHE344C, PRO315B, PRO339B, PRO339C, PRO342B, PRO342C, SER308B, SER308C, SER328B, SER328C, THR317B, THR317C, THR334B, THR334C, THR337B, THR337C, TRP75B, TRP75C, TYR325B, TYR325C, VAL22B, VAL22C, VAL72B, VAL72C
• B-D: ASN116B, ASN116D, ASP93B, ASP93D, CYS89B, CYS89D, GLN115B, GLN115D, GLU114B, GLU114D, GLU117B, GLU117D, GLU97B, GLU97D, HIS149B, HIS149D, ILE90D, ILE92B, ILE92D, LEU152B, LEU152D, LYS100B, LYS100D, LYS148B, LYS148D, LYS154B, LYS154D, LYS94B, LYS94D, TYR112B, TYR112D, TYR113B, TYR113D
• C-D: HIS81C, HIS81D, LYS82D