3SQ3

crystal structure analysis of the yeast tyrosyl-dna phosphodiesterase h182a mutant

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 117
  • Norm. En. per Res.: -2.7974
• 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	-75.1278	-47.6015	-204.561	-327.2903	117	14	0	8568	12	28	45
A-C	0.0	1.9823	-26.9958	-25.0135	45	3	0	1648	0	15	22
B-C	0.0	13.7382	-17.7801	-4.0419	33	3	1	1605	0	10	18
B-D	0.0	0.0	-3.3487	-3.3487	20	2	0	262	0	11	3
C-D	0.0	0.0	-0.0006	-0.0006	4	0	0	2	0	1	2

Interface residues

• A-B: ALA154A, ALA154B, ALA156A, ALA156B, ALA531A, ALA531B, ALA539A, ALA539B, ARG155A, ARG155B, ARG408A, ARG408B, ARG92A, ASN210A, ASN210B, ASN409A, ASN409B, ASP529A, ASP529B, ASP533A, ASP533B, ASP88A, CYS535A, CYS535B, CYS537A, CYS537B, GLN123A, GLN123B, GLN378A, GLN399A, GLN399B, GLU125A, GLU125B, GLU153A, GLU153B, GLU208A, GLU208B, GLU377A, GLU377B, GLU405A, GLU405B, GLU532A, GLU532B, GLU534A, GLU534B, GLY147A, GLY147B, GLY391A, GLY391B, ILE149A, ILE149B, ILE152A, ILE152B, LEU211A, LEU211B, LEU385A, LEU385B, LEU398A, LEU398B, LEU530A, LEU530B, LEU538A, LEU538B, LEU540A, LYS146A, LYS146B, LYS386A, LYS386B, LYS401A, LYS401B, MET150A, MET150B, MET207A, MET207B, PHE122B, PHE178A, PHE178B, PHE380A, PHE380B, PHE536A, PHE536B, PHE89A, PHE89B, PRO151A, PRO151B, PRO384A, PRO384B, SER206A, SER206B, SER383A, SER388A, SER388B, SER389A, SER389B, SER390A, SER390B, SER402A, SER402B, THR148A, THR148B, THR205A, THR205B, TRP387A, TRP387B, TRP392A, TRP392B, TYR124A, TYR124B, TYR397A, TYR397B, TYR404A, TYR404B, TYR528A, TYR90A, TYR90B, VAL381A, VAL381B
• A-C: ALA420A, ARG235C, ARG424A, ARG425A, ARG505A, ARG92A, ASN242C, ASN288C, ASP506A, GLN279C, GLN378A, GLU227C, GLU239C, GLU258C, GLU291C, GLU532A, GLU93A, GLY228C, GLY427A, ILE238C, LEU229C, LEU284C, LYS226C, LYS292C, LYS386A, PHE278C, PHE380A, PHE89A, PRO230C, PRO232C, PRO340C, PRO341C, PRO384A, PRO419A, SER236C, SER280C, SER285C, SER383A, THR382A, THR423A, TRP387A, TYR287C, VAL231C, VAL381A, VAL422A
• B-C: ALA263C, ALA493C, ARG424B, ARG425B, ARG490C, ARG491C, ARG496C, ARG92B, ASN210B, ASN494C, ASP88B, GLU267C, GLU91B, GLU93B, GLY228C, HIS488C, LEU211B, LEU229C, LEU385B, LEU492C, LYS292C, LYS386B, LYS497C, PHE89B, PRO230C, PRO264C, SER266C, SER489C, SER87B, THR382B, THR423B, THR495C, TYR90B
• B-D: ALA320D, ARG319D, ARG476D, ARG479D, ASN192B, ASP101B, ASP506B, GLN399D, GLU112B, GLU194B, LEU221B, LYS223B, LYS277D, LYS400D, PHE178D, PRO176D, PRO177D, PRO514B, THR113B, THR515B
• C-D: PHE278D, PRO514C, SER280D, THR495C