2A30

crystal structure of human deoxycytidine kinase in complex with deoxycytidine

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 101
  • Norm. En. per Res.: -3.5613
• 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	-21.0037	-78.0748	-251.624	-350.7025	101	20	4	11795	10	20	6
B-D	0.0	0.0	-9.0942	-9.0942	19	0	0	752	0	7	13
C-D	-28.8788	-64.0455	-266.769	-359.6933	101	29	4	12070	6	21	6

Interface residues

• A-B: ALA100A, ALA100B, ALA107A, ALA110B, ARG106A, ARG106B, ARG57A, ARG57B, ARG91A, ARG91B, ASN148A, ASN148B, ASN164A, ASN164B, ASN60A, ASN60B, ASN80A, ASN80B, ASP157A, ASP157B, ASP160A, ASP160B, CYS146A, CYS146B, GLN156A, GLN156B, GLN165A, GLN165B, GLN62A, GLN62B, GLU149A, GLU149B, GLU151A, GLU151B, GLU90A, GLU90B, HIS159A, HIS159B, ILE105A, ILE105B, ILE154A, ILE154B, LEU102A, LEU102B, LEU109A, LEU109B, LEU170B, LEU82A, LEU82B, LYS88A, LYS88B, MET147A, MET147B, MET162A, MET162B, MET84A, MET84B, PHE166A, PHE166B, PHE94A, PHE94B, PHE96A, PHE96B, PRO89A, PRO89B, SER103A, SER103B, SER63A, SER63B, SER93A, SER93B, THR150A, THR150B, THR153A, THR153B, THR64A, THR64B, THR95A, THR95B, THR98A, THR98B, TRP152A, TRP152B, TRP158A, TRP158B, TRP161A, TRP161B, TRP58A, TRP58B, TRP92A, TRP92B, TYR142A, TYR142B, TYR155A, TYR155B, TYR99A, TYR99B, VAL61A, VAL61B, VAL81A, VAL81B
• B-D: ALA119B, ARG20B, ASP118B, GLN198D, GLU120B, GLU183D, GLU203D, GLY199D, HIS187D, ILE200D, ILE21B, LEU186D, LEU191D, LEU202D, LYS121B, PRO122B, PRO182D, PRO201D, TYR190D
• C-D: ALA100C, ALA100D, ARG106C, ARG106D, ARG57C, ARG57D, ARG91C, ARG91D, ASN148C, ASN148D, ASN163C, ASN163D, ASN164C, ASN164D, ASN60C, ASN60D, ASN80C, ASN80D, ASP157C, ASP157D, ASP160C, ASP160D, CYS101C, CYS146C, CYS146D, GLN156C, GLN156D, GLN165C, GLN165D, GLN62C, GLN62D, GLU149C, GLU149D, GLU151C, GLU151D, GLU90C, GLU90D, HIS159C, HIS159D, ILE105C, ILE105D, ILE154C, ILE154D, LEU102C, LEU102D, LEU109C, LEU109D, LEU170C, LEU82C, LEU82D, LYS88C, LYS88D, MET147C, MET147D, MET162C, MET162D, MET84C, MET84D, PHE166C, PHE166D, PHE94C, PHE94D, PHE96C, PHE96D, PRO89C, PRO89D, SER103C, SER103D, SER63C, SER63D, SER93C, SER93D, THR150C, THR150D, THR153C, THR153D, THR64C, THR64D, THR95C, THR95D, THR98C, THR98D, TRP152C, TRP152D, TRP158C, TRP158D, TRP161C, TRP161D, TRP58C, TRP58D, TRP92C, TRP92D, TYR142C, TYR155C, TYR155D, TYR99C, TYR99D, VAL61C, VAL61D, VAL81C, VAL81D