3OZE

crystal structure of human 5'-deoxy-5'-methyladenosine phosphorylase

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 99
  • Norm. En. per Res.: -3.9709
• 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-B	-59.4589	-30.3569	-265.178	-354.9938	104	16	4	11180	1	24	30
A-C	-62.2928	-53.6094	-277.213	-393.1152	99	17	3	10836	2	24	28
B-C	-46.5426	-39.4695	-276.681	-362.6931	100	14	3	10939	1	24	28
B-E	0.0	10.3122	-2.5959	7.7164	16	0	0	217	0	12	10
D-E	-50.9333	-24.1225	-274.227	-349.2828	98	17	3	10886	1	25	28
D-F	-50.0982	-50.312	-286.439	-386.8493	98	11	3	11134	3	25	28
E-F	-56.0262	-50.3725	-280.265	-386.6637	102	13	3	11121	2	24	28

Interface residues

• A-B: ALA141A, ALA181B, ALA191A, ARG116A, ARG116B, ARG120A, ARG120B, ARG176B, ARG180B, ARG63B, ASP111A, ASP115A, ASP126A, ASP192A, ASP21B, ASP222B, ASP234B, CYS136A, CYS223B, GLN112A, GLN122A, GLN64B, GLN75A, GLU142A, GLU173A, GLU173B, GLU182B, GLU207A, GLY127A, GLY134A, GLY167A, GLY174B, GLY190A, GLY19B, GLY62B, HIS129A, HIS137A, HIS61B, HIS65B, ILE114A, ILE138A, ILE172B, ILE67B, LEU204A, LEU237B, LEU240B, LEU279A, LEU280A, LYS166A, LYS206A, LYS71B, MET119A, MET119B, MET140A, MET169A, MET185A, MET185B, MET196B, MET273A, MET68B, PHE113A, PHE124A, PHE144A, PHE177B, PHE184B, PHE186A, PHE186B, PHE276A, PRO121A, PRO139A, PRO143A, PRO175B, PRO200A, PRO281A, PRO69B, SER123A, SER128A, SER178B, SER179B, SER183B, SER232B, SER277A, SER70B, THR117A, THR117B, THR118A, THR118B, THR168A, THR171A, THR188A, THR188B, THR18B, THR197B, THR66B, TRP189A, TRP189B, TRP224B, TYR125A, VAL135A, VAL170A, VAL199A, VAL202A, VAL203A, VAL233B
• A-C: ALA141C, ALA181A, ALA191C, ARG116A, ARG116C, ARG120A, ARG120C, ARG133C, ARG176A, ARG180A, ASP111C, ASP115C, ASP126C, ASP21A, ASP222A, CYS136C, CYS223A, GLN112C, GLN122C, GLN64A, GLN75C, GLU142C, GLU173A, GLU173C, GLU182A, GLU207C, GLY127C, GLY134C, GLY167C, GLY174A, GLY190C, GLY19A, HIS129C, HIS137C, HIS61A, HIS65A, ILE114C, ILE138C, ILE172A, ILE67A, LEU204C, LEU237A, LEU240A, LEU279C, LYS206C, LYS225A, LYS71A, MET119A, MET119C, MET140C, MET169C, MET185A, MET185C, MET196A, MET273C, MET68A, PHE113C, PHE124C, PHE144C, PHE177A, PHE184A, PHE186A, PHE186C, PHE276C, PRO121C, PRO139C, PRO143C, PRO175A, PRO200C, PRO69A, SER123C, SER128C, SER178A, SER179A, SER183A, SER277C, SER70A, THR117A, THR117C, THR118A, THR118C, THR168C, THR171C, THR188A, THR188C, THR18A, THR197A, THR66A, TRP189A, TRP189C, TRP224A, TYR125C, VAL135C, VAL170C, VAL199C, VAL202C, VAL203C, VAL236A, VAL72A
• B-C: ALA141B, ALA181C, ALA191B, ARG116B, ARG116C, ARG120B, ARG120C, ARG176C, ARG180C, ARG63C, ASP111B, ASP115B, ASP126B, ASP192B, ASP21C, ASP222C, CYS136B, CYS223C, GLN112B, GLN122B, GLN64C, GLN75B, GLU142B, GLU173B, GLU173C, GLU182C, GLU207B, GLY127B, GLY134B, GLY167B, GLY174C, GLY190B, GLY19C, HIS129B, HIS137B, HIS61C, HIS65C, ILE114B, ILE138B, ILE172C, ILE67C, LEU204B, LEU237C, LEU240C, LEU279B, LEU280B, LYS206B, LYS225C, LYS71C, MET119B, MET119C, MET140B, MET169B, MET185B, MET185C, MET196C, MET273B, MET68C, PHE113B, PHE124B, PHE144B, PHE177C, PHE184C, PHE186B, PHE186C, PHE276B, PRO121B, PRO139B, PRO143B, PRO175C, PRO200B, PRO281B, PRO69C, SER123B, SER128B, SER178C, SER179C, SER183C, SER277B, SER70C, THR117B, THR117C, THR118B, THR118C, THR168B, THR171B, THR188B, THR188C, THR18C, THR197C, THR66C, TRP189B, TRP189C, TRP224C, TYR125B, VAL135B, VAL170B, VAL199B, VAL202B, VAL203B
• B-E: ASP35E, GLU150B, GLU83E, GLU84E, ILE153B, LEU47E, LYS11E, LYS147B, LYS157B, LYS166B, LYS32E, LYS40E, SER165B, THR30E, TYR33E, VAL34E
• D-E: ALA141D, ALA181E, ALA191D, ARG116D, ARG116E, ARG120D, ARG120E, ARG176E, ARG180E, ARG63E, ASP111D, ASP115D, ASP126D, ASP192D, ASP21E, ASP222E, CYS136D, CYS223E, GLN112D, GLN122D, GLN64E, GLN75D, GLU142D, GLU173D, GLU173E, GLU182E, GLU207D, GLY127D, GLY134D, GLY167D, GLY174E, GLY190D, HIS129D, HIS137D, HIS227E, HIS61E, HIS65E, ILE114D, ILE138D, ILE172E, ILE67E, LEU204D, LEU237E, LEU240E, LEU279D, LEU280D, LYS206D, LYS71E, MET119D, MET119E, MET140D, MET169D, MET185D, MET185E, MET196E, MET68E, PHE113D, PHE124D, PHE144D, PHE177E, PHE184E, PHE186D, PHE186E, PHE276D, PRO121D, PRO139D, PRO143D, PRO175E, PRO200D, PRO281D, PRO69E, SER123D, SER128D, SER178E, SER179E, SER183E, SER277D, SER70E, THR117D, THR117E, THR118D, THR118E, THR168D, THR171D, THR188D, THR188E, THR18E, THR197E, THR66E, TRP189D, TRP189E, TRP224E, TYR125D, VAL135D, VAL170D, VAL199D, VAL202D, VAL203D
• D-F: ALA141F, ALA181D, ALA191F, ARG116D, ARG116F, ARG120D, ARG120F, ARG133F, ARG176D, ARG180D, ASP111F, ASP115F, ASP126F, ASP192F, ASP21D, ASP222D, CYS136F, CYS223D, GLN112F, GLN122F, GLN64D, GLN75F, GLU142F, GLU173D, GLU173F, GLU182D, GLU207F, GLY127F, GLY134F, GLY167F, GLY174D, GLY190F, GLY19D, HIS129F, HIS137F, HIS61D, HIS65D, ILE114F, ILE138F, ILE172D, ILE67D, LEU204F, LEU237D, LEU240D, LEU279F, LEU280F, LYS206F, LYS225D, LYS71D, MET119D, MET119F, MET140F, MET169F, MET185D, MET185F, MET196D, MET68D, PHE113F, PHE124F, PHE144F, PHE177D, PHE184D, PHE186D, PHE186F, PRO121F, PRO139F, PRO143F, PRO175D, PRO200F, PRO69D, SER123F, SER128F, SER178D, SER179D, SER183D, SER277F, SER70D, THR117D, THR117F, THR118D, THR118F, THR168F, THR171F, THR188D, THR188F, THR18D, THR197D, THR66D, TRP189D, TRP189F, TRP224D, TYR125F, VAL135F, VAL170F, VAL199F, VAL202F, VAL203F, VAL72D
• E-F: ALA141E, ALA181F, ALA191E, ARG116E, ARG116F, ARG120E, ARG120F, ARG133E, ARG149E, ARG176F, ARG180F, ARG63F, ASP111E, ASP115E, ASP126E, ASP222F, ASP234F, CYS136E, CYS223F, GLN112E, GLN122E, GLN64F, GLN75E, GLU142E, GLU173E, GLU173F, GLU182F, GLU207E, GLY127E, GLY134E, GLY167E, GLY174F, GLY190E, HIS129E, HIS137E, HIS61F, HIS65F, ILE114E, ILE138E, ILE172F, ILE67F, LEU204E, LEU237F, LEU240F, LEU279E, LEU280E, LYS166E, LYS206E, LYS225F, LYS71F, MET119E, MET119F, MET140E, MET169E, MET185E, MET185F, MET196F, MET273E, MET68F, PHE113E, PHE124E, PHE144E, PHE177F, PHE184F, PHE186E, PHE186F, PHE276E, PRO121E, PRO139E, PRO143E, PRO175F, PRO200E, PRO281E, PRO69F, SER123E, SER128E, SER178F, SER179F, SER183F, SER277E, SER70F, THR117E, THR117F, THR118E, THR118F, THR168E, THR171E, THR188E, THR188F, THR18F, THR197F, THR66F, TRP189E, TRP189F, TRP224F, TYR125E, VAL135E, VAL170E, VAL199E, VAL202E, VAL203E, VAL233F