3SQ8

crystal structure analysis of the yeast tyrosyl-dna phosphodiesterase 1 h432r mutant (scan1 mutant)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 133
  • Norm. En. per Res.: -2.7399
• 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	-6.0389	-21.7659	-54.1379	-81.9428	67	4	0	2976	1	20	28
A-C	0.0	0.0	-3.6177	-3.6177	17	0	0	285	0	3	7
B-C	-4.8229	10.7768	-109.116	-103.1621	77	5	1	5734	0	22	32
B-D	-53.3779	-45.1962	-265.831	-364.4051	133	17	0	10885	15	33	56
C-D	0.0	0.0	-5.9405	-5.9405	23	3	0	448	0	13	4

Interface residues

• A-B: ALA420A, ALA531A, ARG235B, ARG424A, ARG425A, ARG426A, ARG505A, ARG92A, ASN242B, ASN288B, ASP250B, ASP506A, GLN279B, GLN378A, GLU227B, GLU239B, GLU258B, GLU291B, GLU532A, GLU93A, GLY228B, GLY282B, GLY427A, HIS245B, ILE238B, LEU229B, LEU284B, LEU385A, LYS226B, LYS277B, LYS289B, LYS292B, LYS386A, MET421A, PHE270B, PHE278B, PHE286B, PHE380A, PHE89A, PRO230B, PRO232B, PRO340B, PRO341B, PRO384A, PRO419A, SER236B, SER243B, SER280B, SER281B, SER285B, SER339B, SER383A, THR254B, THR274B, THR382A, THR423A, THR428A, THR502A, THR504A, TRP387A, TYR240B, TYR272B, TYR287B, VAL231B, VAL271B, VAL381A, VAL422A
• A-C: ARG235C, ARG496A, ARG505A, ASN288C, ASN494A, GLN279C, GLU455A, GLY79A, LYS277C, LYS477C, LYS497A, PHE278C, PRO341C, PRO514A, SER280C, THR495A, THR499A
• B-C: ALA179B, ALA263C, ALA493C, ALA80C, ARG235C, ARG319B, ARG476B, ARG479B, ARG490C, ARG491C, ARG496C, ASN192C, ASN242B, ASN261C, ASP248B, GLN279B, GLN468B, GLU172B, GLU194C, GLU227C, GLU267C, GLU269C, GLY225C, GLY228C, GLY79C, HIS245B, HIS488C, HIS516C, ILE171B, ILE173B, ILE224C, ILE249B, LEU170B, LEU221C, LEU222C, LEU229C, LEU246B, LEU265C, LEU268C, LEU293C, LEU317B, LEU492C, LYS146B, LYS169B, LYS223C, LYS226C, LYS247B, LYS277B, LYS292C, LYS477B, LYS497C, MET175B, PHE178B, PHE233C, PHE262C, PHE278B, PRO176B, PRO177B, PRO220C, PRO230C, PRO232C, PRO264C, PRO275B, PRO478B, SER243B, SER266C, SER276B, SER318B, SER475B, SER489C, THR174B, THR274B, THR469B, THR473B, TYR244B, TYR481B, VAL231C
• B-D: ALA154B, ALA154D, ALA156B, ALA156D, ALA531B, ALA531D, ALA539B, ALA539D, ARG155B, ARG155D, ARG408B, ARG408D, ARG432B, ARG432D, ARG92B, ARG92D, ASN210B, ASN210D, ASN409B, ASN409D, ASP127B, ASP529B, ASP529D, ASP533B, ASP533D, ASP88B, CYS535B, CYS535D, CYS537B, CYS537D, GLN123B, GLN123D, GLN145B, GLN145D, GLN399B, GLN399D, GLU125B, GLU125D, GLU153B, GLU153D, GLU208B, GLU208D, GLU377B, GLU377D, GLU405B, GLU405D, GLU532B, GLU532D, GLU534B, GLU534D, GLY147B, GLY147D, GLY391B, GLY391D, HIS394B, HIS394D, HIS541B, HIS541D, HIS542D, ILE149B, ILE149D, ILE152B, ILE152D, LEU211B, LEU211D, LEU385B, LEU385D, LEU398B, LEU398D, LEU530B, LEU530D, LEU538B, LEU538D, LEU540B, LEU540D, LYS146B, LYS146D, LYS386B, LYS386D, LYS401B, LYS401D, MET150B, MET150D, MET207B, MET207D, PHE122B, PHE128B, PHE380B, PHE380D, PHE393B, PHE393D, PHE414B, PHE414D, PHE536B, PHE536D, PHE89B, PHE89D, PRO151B, PRO151D, PRO212B, PRO212D, PRO384B, PRO384D, SER206B, SER206D, SER388B, SER388D, SER389B, SER389D, SER390B, SER390D, SER402B, SER402D, THR148B, THR148D, THR205B, THR205D, THR209B, THR209D, TRP387B, TRP387D, TRP392B, TRP392D, TYR124B, TYR124D, TYR397B, TYR397D, TYR404B, TYR404D, TYR528B, TYR528D, VAL381B, VAL381D
• C-D: ALA320D, ARG319D, ARG321D, ARG476D, ARG479D, ARG505C, ASN192C, ASP101C, ASP506C, GLN399D, GLU112C, LEU221C, LYS223C, LYS277D, LYS400D, MET102C, PHE178D, PRO176D, PRO177D, PRO514C, THR111C, THR113C, THR515C