2UZ3

crystal structure of thymidine kinase with dttp from u. urealyticum

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 182
  • Norm. En. per Res.: -4.522
• 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	-37.7943	-14.3345	-201.206	-253.3349	109	14	14	8924	0	24	36
A-C	-193.6231	-81.9403	-547.447	-823.0103	182	33	11	21935	12	71	39
A-D	0.0	0.0	-0.0301	-0.0301	2	0	0	14	0	0	2
B-C	0.0	0.0	-0.0121	-0.0121	2	0	0	10	0	0	2
B-D	-132.586	-90.7796	-581.342	-804.7076	186	28	11	22666	11	74	42
C-D	-39.1739	-15.1215	-220.795	-275.0904	113	15	15	9746	0	25	36

Interface residues

• A-B: ALA151A, ALA151B, ALA158A, ALA158B, ALA160A, ALA160B, ALA189A, ALA189B, ALA23A, ALA23B, ALA27A, ALA27B, ALA39A, ALA39B, ARG31A, ARG31B, ARG32A, ARG32B, ARG35A, ARG35B, ARG61B, ASN154A, ASN154B, ASP40A, ASP40B, CYS153A, CYS153B, CYS156A, CYS156B, CYS183A, CYS183B, GLN184A, GLN184B, GLU155A, GLU155B, GLU159A, GLU159B, GLU15A, GLU15B, GLU28A, GLU28B, GLU37A, GLU37B, GLY157A, GLY157B, GLY19A, GLY19B, GLY24A, GLY24B, GLY63B, HIS34A, HIS34B, ILE11A, ILE11B, ILE120A, ILE120B, ILE152A, ILE152B, ILE17A, ILE17B, ILE30A, ILE30B, LEU149A, LEU149B, LEU29A, LEU29B, LEU33A, LEU33B, LEU36A, LEU36B, LYS145A, LYS145B, LYS148A, LYS148B, LYS25A, LYS25B, LYS91A, LYS91B, MET21A, MET21B, PHE22A, PHE22B, PRO20A, PRO20B, SER188A, SER188B, SER60B, THR147A, THR147B, THR150A, THR150B, THR18A, THR18B, THR26A, THR26B, THR62B, THR64B, TRP13A, TRP13B, TYR187A, TYR38A, TYR38B, VAL118A, VAL118B, VAL190A, VAL41A, VAL41B, VAL92A, VAL92B
• A-C: ALA109A, ALA109C, ALA113A, ALA113C, ALA137A, ALA137C, ALA143A, ALA143C, ALA158C, ALA74A, ALA74C, ARG104A, ARG104C, ARG192A, ARG192C, ARG200A, ARG200C, ASN110A, ASN110C, ASN115A, ASN115C, ASN127A, ASN127C, ASN204A, ASN204C, ASN206A, ASN206C, ASN79A, ASN79C, ASN84A, ASN84C, ASN87A, ASN87C, ASP102A, ASP102C, ASP103A, ASP103C, ASP125A, ASP125C, ASP144A, ASP144C, ASP88A, ASP88C, CYS106A, CYS106C, CYS191A, CYS191C, GLU107A, GLU107C, GLU114A, GLU114C, GLU131A, GLU131C, GLU159A, GLU159C, GLU15A, GLU15C, GLU208A, GLU208C, GLU209A, GLU209C, GLU76A, GLU76C, GLY116A, GLY116C, GLY12A, GLY12C, GLY130A, GLY130C, GLY134C, GLY19C, HIS162A, HIS162C, HIS193A, HIS193C, HIS195A, HIS195C, ILE105A, ILE105C, ILE111A, ILE111C, ILE11A, ILE11C, ILE121C, ILE136A, ILE136C, ILE146A, ILE146C, ILE14A, ILE14C, ILE211A, ILE211C, ILE77A, ILE77C, ILE81A, ILE81C, ILE93A, ILE93C, LEU112A, LEU112C, LEU124A, LEU124C, LEU139A, LEU139C, LEU203A, LEU203C, LEU78A, LEU78C, LYS126A, LYS126C, LYS129A, LYS129C, LYS138A, LYS138C, LYS145A, LYS145C, LYS148A, LYS148C, LYS212A, LYS212C, LYS215A, LYS215C, MET82A, MET82C, PHE117A, PHE117C, PHE133A, PHE133C, PHE140A, PHE140C, PHE16A, PHE16C, PHE210A, PHE210C, PHE213A, PHE213C, PHE214A, PHE214C, PHE86A, PHE86C, PRO132A, PRO132C, PRO135A, PRO135C, PRO201A, PRO201C, PRO75A, PRO75C, SER205A, SER205C, SER207A, SER207C, SER73A, SER73C, SER83A, SER83C, THR141A, THR141C, THR147A, THR147C, THR150A, THR150C, THR161A, THR161C, THR18A, THR18C, THR90A, THR90C, TRP13A, TRP13C, TYR142A, TYR142C, TYR174C, TYR202A, TYR202C, TYR80A, TYR80C, VAL108A, VAL108C, VAL118A, VAL119A, VAL119C
• A-D: LYS145A, LYS145D
• B-C: LYS145B, LYS145C
• B-D: ALA109B, ALA109D, ALA113B, ALA113D, ALA137B, ALA137D, ALA143B, ALA143D, ALA158B, ALA74B, ALA74D, ARG104B, ARG104D, ARG192B, ARG192D, ARG200B, ARG200D, ASN110B, ASN110D, ASN115B, ASN115D, ASN127B, ASN127D, ASN204B, ASN204D, ASN206B, ASN206D, ASN79B, ASN79D, ASN84B, ASN84D, ASN87B, ASN87D, ASP102B, ASP102D, ASP103B, ASP103D, ASP125B, ASP125D, ASP144B, ASP144D, ASP88B, ASP88D, CYS106B, CYS106D, CYS156B, CYS191B, CYS191D, GLU107B, GLU107D, GLU114B, GLU114D, GLU131B, GLU131D, GLU159B, GLU159D, GLU15B, GLU15D, GLU208B, GLU208D, GLU209B, GLU209D, GLU76B, GLU76D, GLY116B, GLY116D, GLY12B, GLY12D, GLY130B, GLY130D, GLY19B, GLY19D, HIS162B, HIS162D, HIS193B, HIS193D, HIS195B, HIS195D, ILE105B, ILE105D, ILE111B, ILE111D, ILE11B, ILE11D, ILE136B, ILE136D, ILE146B, ILE146D, ILE14B, ILE14D, ILE211B, ILE211D, ILE77B, ILE77D, ILE81B, ILE81D, ILE93B, ILE93D, LEU112B, LEU112D, LEU124B, LEU124D, LEU139B, LEU139D, LEU149B, LEU203B, LEU203D, LEU78B, LEU78D, LYS126B, LYS126D, LYS129B, LYS129D, LYS138B, LYS138D, LYS145B, LYS145D, LYS148B, LYS148D, LYS196D, LYS212B, LYS212D, LYS215B, LYS215D, LYS217D, MET82B, MET82D, PHE117B, PHE117D, PHE133B, PHE133D, PHE140B, PHE140D, PHE16B, PHE16D, PHE210B, PHE210D, PHE213B, PHE213D, PHE214B, PHE214D, PHE86B, PHE86D, PRO132B, PRO132D, PRO135B, PRO135D, PRO201B, PRO201D, PRO75B, PRO75D, SER205B, SER205D, SER207B, SER207D, SER73B, SER73D, SER83B, SER83D, THR141B, THR141D, THR147B, THR147D, THR150B, THR150D, THR161B, THR161D, THR18B, THR18D, THR90B, THR90D, TRP13B, TRP13D, TYR142B, TYR142D, TYR174B, TYR174D, TYR202B, TYR202D, TYR80B, TYR80D, VAL108B, VAL108D, VAL118B, VAL119B, VAL119D
• C-D: ALA151C, ALA151D, ALA158C, ALA158D, ALA160C, ALA160D, ALA189C, ALA189D, ALA23C, ALA23D, ALA27C, ALA27D, ALA39C, ALA39D, ARG31C, ARG31D, ARG32C, ARG32D, ARG35C, ARG35D, ARG61D, ASN154C, ASN154D, ASP40C, ASP40D, CYS153C, CYS153D, CYS156C, CYS156D, CYS183C, CYS183D, GLN184C, GLN184D, GLU155C, GLU155D, GLU159C, GLU159D, GLU15C, GLU15D, GLU28C, GLU28D, GLU37C, GLU37D, GLY157C, GLY157D, GLY19C, GLY19D, GLY24C, GLY24D, GLY63D, HIS34C, HIS34D, ILE11C, ILE11D, ILE120C, ILE120D, ILE152C, ILE152D, ILE17C, ILE17D, ILE30C, ILE30D, LEU149C, LEU149D, LEU29C, LEU29D, LEU33C, LEU33D, LEU36C, LEU36D, LEU66C, LYS145C, LYS145D, LYS148C, LYS148D, LYS25C, LYS25D, LYS91C, LYS91D, MET21C, MET21D, PHE22C, PHE22D, PRO20C, PRO20D, SER188C, SER188D, SER60D, SER65C, THR147C, THR147D, THR150C, THR150D, THR18C, THR18D, THR26C, THR26D, THR62D, THR64D, TRP13C, TRP13D, TYR187C, TYR187D, TYR38C, TYR38D, VAL118C, VAL118D, VAL190C, VAL190D, VAL41C, VAL41D, VAL92C, VAL92D