3T94

crystal structure of 5'-deoxy-5'-methylthioadenosine phosphorylase (mtap) ii complexed with 5'-deoxy-5'-methylthioadenosine and sulfate

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 112
  • Norm. En. per Res.: -4.4755
• 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	-83.408	-65.4994	-346.739	-495.6465	114	18	9	14181	4	45	39
A-C	-82.4319	-60.3177	-360.161	-502.9106	113	20	8	14534	4	45	39
B-C	-85.6342	-57.5928	-352.035	-495.262	112	24	7	14472	4	45	39
D-E	-83.9476	-57.8834	-353.82	-495.651	115	21	7	14314	4	45	39
D-F	-82.5016	-68.7557	-350.498	-501.7553	113	15	7	14102	5	45	39
E-F	-86.7281	-64.4848	-350.04	-501.2529	112	19	7	14269	3	45	38

Interface residues

• A-B: ALA129B, ALA134B, ALA174A, ALA185B, ALA225A, ALA268B, ARG118A, ARG118B, ARG169A, ARG173A, ARG177A, ARG230A, ARG61A, ARG64A, ARG73B, ASN117A, ASN117B, ASN197B, ASP109B, ASP113B, ASP124B, ASP135B, ASP216A, CYS164B, CYS200B, GLN110B, GLU119B, GLU166A, GLU166B, GLU175A, GLU181A, GLU181B, GLU201B, GLU226A, GLU227A, GLY125B, GLY160B, GLY167A, GLY17A, GLY62A, HIS130B, HIS59A, HIS63A, HIS68A, ILE112B, ILE163A, ILE163B, ILE165A, ILE165B, ILE221A, ILE65A, ILE70A, LEU192B, LEU198B, LEU265B, LEU269B, LYS116A, LYS116B, LYS184A, LYS184B, LYS266B, LYS69A, MET114A, MET114B, MET133B, MET190A, PHE111B, PHE122B, PHE123B, PHE137B, PHE170A, PHE218A, PRO126B, PRO136B, PRO168A, PRO194B, PRO222A, PRO66A, PRO67A, SER121B, SER132B, SER16A, SER171A, SER176A, SER260B, SER264B, THR115A, THR115B, THR161B, THR172A, THR178A, THR178B, THR191A, THR224A, THR229A, THR267B, TRP179A, TRP179B, TYR120A, TYR120B, TYR162B, TYR183A, TYR183B, VAL127B, VAL128B, VAL131B, VAL182A, VAL182B, VAL193B, VAL196B, VAL217A, VAL223A, VAL228A, VAL270B
• A-C: ALA129A, ALA134A, ALA174C, ALA185A, ALA225C, ALA268A, ARG118A, ARG118C, ARG169C, ARG173C, ARG177C, ARG180A, ARG61C, ARG64C, ARG73A, ASN117A, ASN117C, ASN197A, ASP109A, ASP113A, ASP124A, ASP135A, ASP216C, CYS164A, CYS200A, GLN110A, GLU119A, GLU166A, GLU166C, GLU175C, GLU181A, GLU181C, GLU201A, GLU226C, GLU227C, GLY125A, GLY160A, GLY167C, GLY17C, GLY62C, HIS130A, HIS59C, HIS63C, HIS68C, ILE112A, ILE163A, ILE163C, ILE165A, ILE165C, ILE221C, ILE65C, ILE70C, LEU192A, LEU198A, LEU265A, LEU269A, LYS116A, LYS116C, LYS184A, LYS266A, LYS69C, MET114A, MET114C, MET133A, MET190C, PHE111A, PHE122A, PHE123A, PHE137A, PHE170C, PHE218C, PRO126A, PRO136A, PRO168C, PRO194A, PRO222C, PRO66C, PRO67C, SER121A, SER132A, SER16C, SER171C, SER176C, SER260A, SER264A, THR115A, THR115C, THR161A, THR172C, THR178A, THR178C, THR191C, THR224C, THR229C, THR267A, TRP179A, TRP179C, TYR120A, TYR120C, TYR162A, TYR183A, TYR183C, VAL127A, VAL128A, VAL131A, VAL182A, VAL182C, VAL193A, VAL196A, VAL217C, VAL223C, VAL228C, VAL270A
• B-C: ALA129C, ALA134C, ALA174B, ALA185C, ALA225B, ALA268C, ARG118B, ARG118C, ARG169B, ARG173B, ARG177B, ARG230B, ARG61B, ARG64B, ARG73C, ASN117B, ASN117C, ASN197C, ASP109C, ASP113C, ASP124C, ASP135C, ASP216B, CYS164C, CYS200C, GLN110C, GLU119C, GLU166B, GLU166C, GLU175B, GLU181B, GLU181C, GLU201C, GLU226B, GLU227B, GLY125C, GLY160C, GLY167B, GLY17B, GLY62B, HIS130C, HIS59B, HIS63B, HIS68B, ILE112C, ILE163C, ILE165B, ILE165C, ILE221B, ILE65B, ILE70B, LEU192C, LEU198C, LEU265C, LEU269C, LYS116B, LYS116C, LYS184C, LYS266C, LYS69B, MET114B, MET114C, MET133C, MET190B, PHE111C, PHE122C, PHE123C, PHE137C, PHE170B, PHE218B, PRO126C, PRO136C, PRO168B, PRO194C, PRO222B, PRO66B, PRO67B, SER121C, SER132C, SER16B, SER171B, SER176B, SER260C, SER264C, THR115B, THR115C, THR161C, THR172B, THR178B, THR178C, THR191B, THR224B, THR229B, THR267C, TRP179B, TRP179C, TYR120B, TYR120C, TYR162C, TYR183B, TYR183C, VAL127C, VAL128C, VAL131C, VAL182B, VAL182C, VAL193C, VAL196C, VAL217B, VAL223B, VAL228B, VAL270C
• D-E: ALA129E, ALA134E, ALA174D, ALA185E, ALA225D, ALA268E, ARG118D, ARG118E, ARG169D, ARG173D, ARG177D, ARG180E, ARG230D, ARG61D, ARG64D, ARG73E, ASN117D, ASN117E, ASN197E, ASP109E, ASP113E, ASP124E, ASP135E, ASP216D, CYS164E, CYS200E, GLN110E, GLU119E, GLU166D, GLU166E, GLU175D, GLU181D, GLU181E, GLU201E, GLU226D, GLU227D, GLY125E, GLY160E, GLY167D, GLY17D, GLY62D, HIS130E, HIS59D, HIS63D, HIS68D, ILE112D, ILE112E, ILE163D, ILE163E, ILE165D, ILE165E, ILE221D, ILE65D, ILE70D, LEU192E, LEU198E, LEU265E, LEU269E, LYS116D, LYS116E, LYS184E, LYS266E, LYS69D, MET114D, MET114E, MET133E, MET190D, PHE111E, PHE122E, PHE123E, PHE137E, PHE170D, PHE218D, PRO126E, PRO136E, PRO168D, PRO194E, PRO222D, PRO66D, PRO67D, SER121E, SER132E, SER16D, SER171D, SER176D, SER260E, SER264E, THR115D, THR115E, THR161E, THR172D, THR178D, THR178E, THR191D, THR224D, THR229D, THR267E, TRP179D, TRP179E, TYR120D, TYR120E, TYR162E, TYR183D, TYR183E, VAL127E, VAL128E, VAL131E, VAL182D, VAL182E, VAL193E, VAL196E, VAL217D, VAL223D, VAL228D, VAL270E
• D-F: ALA129D, ALA134D, ALA174F, ALA185D, ALA225F, ALA268D, ARG118D, ARG118F, ARG169F, ARG173F, ARG177F, ARG230F, ARG61F, ARG64F, ARG73D, ASN117D, ASN117F, ASN197D, ASP109D, ASP113D, ASP124D, ASP135D, ASP216F, CYS164D, CYS200D, GLN110D, GLU119D, GLU166D, GLU166F, GLU175F, GLU181D, GLU181F, GLU201D, GLU226F, GLU227F, GLY125D, GLY160D, GLY167F, GLY17F, GLY62F, HIS130D, HIS59F, HIS63F, HIS68F, ILE112D, ILE163D, ILE163F, ILE165D, ILE165F, ILE221F, ILE65F, ILE70F, LEU192D, LEU198D, LEU265D, LEU269D, LYS116D, LYS116F, LYS184D, LYS266D, LYS69F, MET114D, MET114F, MET133D, MET190F, PHE111D, PHE122D, PHE123D, PHE137D, PHE170F, PHE218F, PRO126D, PRO136D, PRO168F, PRO194D, PRO222F, PRO66F, PRO67F, SER121D, SER132D, SER16F, SER171F, SER176F, SER260D, SER264D, THR115D, THR115F, THR161D, THR172F, THR178D, THR178F, THR191F, THR224F, THR229F, THR267D, TRP179D, TRP179F, TYR120D, TYR120F, TYR162D, TYR183D, TYR183F, VAL127D, VAL128D, VAL131D, VAL182D, VAL182F, VAL193D, VAL196D, VAL217F, VAL223F, VAL228F, VAL270D
• E-F: ALA129F, ALA134F, ALA174E, ALA185F, ALA225E, ALA268F, ARG118E, ARG118F, ARG169E, ARG173E, ARG177E, ARG230E, ARG61E, ARG64E, ARG73F, ASN117E, ASN117F, ASN197F, ASP109F, ASP113F, ASP124F, ASP135F, ASP216E, CYS164F, CYS200F, GLN110F, GLU119F, GLU166E, GLU166F, GLU175E, GLU181E, GLU181F, GLU201F, GLU226E, GLU227E, GLY125F, GLY160F, GLY167E, GLY17E, GLY62E, HIS130F, HIS59E, HIS63E, HIS68E, ILE112F, ILE163F, ILE165E, ILE165F, ILE221E, ILE65E, ILE70E, LEU192F, LEU198F, LEU265F, LEU269F, LYS116E, LYS116F, LYS184F, LYS266F, LYS69E, MET114E, MET114F, MET133F, MET190E, PHE111F, PHE122F, PHE123F, PHE137F, PHE170E, PHE218E, PRO126F, PRO136F, PRO168E, PRO194F, PRO222E, PRO66E, PRO67E, SER121F, SER132F, SER16E, SER171E, SER176E, SER260F, SER264F, THR115E, THR115F, THR161F, THR172E, THR178E, THR178F, THR191E, THR224E, THR229E, THR267F, TRP179E, TRP179F, TYR120E, TYR120F, TYR162F, TYR183E, TYR183F, VAL127F, VAL128F, VAL131F, VAL182E, VAL182F, VAL193F, VAL196F, VAL217E, VAL223E, VAL228E, VAL270F