2OCP

crystal structure of human deoxyguanosine kinase

• Total interactions analyzed: 28
• Total true interactions: 6
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 110
  • Norm. En. per Res.: -4.2234
• 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	-33.2567	-80.3172	-320.002	-433.5759	109	18	8	13624	8	12	14
B-E	-10.7469	-0.8849	74.1395	62.5077	27	12	0	1154	0	6	8
C-D	-34.773	-79.7087	-320.256	-434.7377	110	18	7	13628	9	12	13
E-F	-38.4975	-90.997	-336.317	-465.8115	112	17	8	14200	10	14	14
F-G	0.0	2.2002	-26.3668	-24.1666	22	2	0	1137	0	8	15
G-H	-38.8967	-91.3386	-334.34	-464.5753	110	19	8	14196	10	14	14

Interface residues

• A-B: ALA104A, ALA104B, ARG105A, ARG105B, ARG183A, ARG183B, ASN77A, ASN77B, ASN94A, ASN94B, ASP163A, ASP163B, ASP171A, ASP171B, GLN111A, GLN111B, GLN122A, GLN122B, GLN170A, GLN170B, GLN79A, GLN79B, GLU102A, GLU102B, GLU124A, GLU124B, GLU165A, GLU165B, GLU179A, GLU179B, GLY93A, GLY93B, HIS167A, HIS167B, HIS173A, HIS173B, ILE164A, ILE164B, ILE168A, ILE168B, ILE78A, ILE78B, LEU116A, LEU116B, LEU119A, LEU119B, LEU123A, LEU123B, LEU161A, LEU161B, LEU176A, LEU176B, LEU177A, LEU92A, LEU92B, LEU95A, LEU95B, LYS120A, LYS120B, MET98A, MET98B, PHE110A, PHE110B, PHE113A, PHE113B, PHE115A, PHE115B, PHE175A, PHE175B, PHE180A, PHE180B, PRO103A, PRO103B, PRO125A, PRO125B, SER107A, SER107B, SER114A, SER114B, SER117A, SER117B, SER160A, SER160B, SER162A, SER162B, SER174A, SER174B, THR109A, THR109B, THR112A, THR112B, THR74A, THR74B, TRP106A, TRP106B, TRP172A, TRP172B, TRP178A, TRP178B, TRP75A, TRP75B, TYR108A, TYR108B, TYR169A, TYR169B, VAL121A, VAL121B, VAL144A, VAL144B
• B-E: ALA133E, ALA241B, ARG134E, ARG39B, ASN244B, ASN276B, GLN132E, GLU128E, GLU269B, GLU64E, ILE245B, LEU130E, LEU131E, LEU248B, LEU277B, LYS129E, LYS135E, LYS233B, LYS275B, MET243B, PHE273B, PRO127E, PRO246B, PRO63E, THR272B, VAL247B, VAL274B
• C-D: ALA104C, ALA104D, ARG105C, ARG105D, ARG183C, ARG183D, ASN77C, ASN77D, ASN94C, ASN94D, ASP163C, ASP163D, ASP171C, ASP171D, GLN111C, GLN111D, GLN122C, GLN170C, GLN170D, GLN76C, GLN79C, GLN79D, GLU102C, GLU102D, GLU124C, GLU124D, GLU165C, GLU165D, GLU179C, GLU179D, GLY93C, GLY93D, HIS167C, HIS167D, HIS173C, HIS173D, ILE164C, ILE164D, ILE168C, ILE168D, ILE78C, ILE78D, LEU116C, LEU116D, LEU119C, LEU119D, LEU123C, LEU123D, LEU161C, LEU161D, LEU176C, LEU176D, LEU92C, LEU92D, LEU95C, LEU95D, LEU96C, LYS120C, LYS120D, MET98C, MET98D, PHE110C, PHE110D, PHE113C, PHE113D, PHE115C, PHE115D, PHE175C, PHE175D, PHE180C, PHE180D, PRO103C, PRO103D, PRO125C, PRO125D, SER107C, SER107D, SER114C, SER114D, SER117C, SER117D, SER160C, SER160D, SER162C, SER162D, SER174C, SER174D, THR109C, THR109D, THR112C, THR112D, THR74C, THR74D, TRP106C, TRP106D, TRP166D, TRP172C, TRP172D, TRP178C, TRP178D, TRP75C, TRP75D, TYR108C, TYR108D, TYR169C, TYR169D, VAL121C, VAL121D, VAL144C, VAL144D
• E-F: ALA104E, ALA104F, ARG105E, ARG105F, ARG183E, ARG183F, ASN77E, ASN77F, ASN94E, ASN94F, ASP163E, ASP163F, ASP171E, ASP171F, GLN111E, GLN111F, GLN122E, GLN122F, GLN170E, GLN170F, GLN79E, GLN79F, GLU102E, GLU102F, GLU124E, GLU124F, GLU165E, GLU165F, GLU179E, GLU179F, GLY93E, GLY93F, HIS167E, HIS167F, HIS173E, HIS173F, ILE164E, ILE164F, ILE168E, ILE168F, ILE78E, ILE78F, LEU116E, LEU116F, LEU119E, LEU119F, LEU123E, LEU123F, LEU161E, LEU161F, LEU176E, LEU176F, LEU177E, LEU177F, LEU92E, LEU92F, LEU95E, LEU95F, LYS120E, LYS120F, MET98E, MET98F, PHE110E, PHE110F, PHE113E, PHE113F, PHE115E, PHE115F, PHE175E, PHE175F, PHE180E, PHE180F, PRO103E, PRO103F, PRO125E, PRO125F, SER107E, SER107F, SER114E, SER114F, SER117E, SER117F, SER160E, SER160F, SER162E, SER162F, SER174E, SER174F, THR109E, THR109F, THR112E, THR112F, THR74E, THR74F, TRP106E, TRP106F, TRP166E, TRP166F, TRP172E, TRP172F, TRP178E, TRP178F, TRP75E, TRP75F, TYR108E, TYR108F, TYR169E, TYR169F, VAL121E, VAL121F, VAL144E, VAL144F
• F-G: ALA228F, ALA228G, ASN244F, GLU227G, GLY224G, HIS223G, HIS232F, HIS232G, ILE231F, ILE231G, LEU230F, LEU237F, LYS153G, LYS233F, LYS233G, LYS236F, MET243F, THR234F, THR234G, THR235F, THR235G, TRP229F
• G-H: ALA104G, ALA104H, ARG105G, ARG105H, ARG183G, ARG183H, ASN77G, ASN77H, ASN94G, ASN94H, ASP163G, ASP163H, ASP171G, ASP171H, GLN111G, GLN111H, GLN122G, GLN122H, GLN170G, GLN170H, GLN79G, GLN79H, GLU102G, GLU102H, GLU124G, GLU124H, GLU165G, GLU165H, GLU179G, GLU179H, GLY93G, GLY93H, HIS167G, HIS167H, HIS173G, HIS173H, ILE164G, ILE164H, ILE168G, ILE168H, ILE78G, ILE78H, LEU116G, LEU116H, LEU119G, LEU119H, LEU123G, LEU123H, LEU161G, LEU161H, LEU176G, LEU176H, LEU177G, LEU177H, LEU92G, LEU92H, LEU95G, LEU95H, LYS120G, LYS120H, MET98G, MET98H, PHE110G, PHE110H, PHE113G, PHE113H, PHE115G, PHE115H, PHE175G, PHE175H, PHE180G, PHE180H, PRO103G, PRO103H, PRO125G, PRO125H, SER107G, SER107H, SER114G, SER114H, SER117G, SER117H, SER160G, SER160H, SER162G, SER162H, SER174G, SER174H, THR109G, THR109H, THR112G, THR112H, THR74G, THR74H, TRP106G, TRP106H, TRP172G, TRP172H, TRP178G, TRP178H, TRP75G, TRP75H, TYR108G, TYR108H, TYR169G, TYR169H, VAL121G, VAL121H, VAL144G, VAL144H