3SQ7

crystal structure analysis of the yeast tyrosyl-dna phosphodiesterase h432n_glu mutant

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 194
  • Norm. En. per Res.: -3.0399
• Hub Node: A(3)

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	0.0	15.4923	-104.316	-88.8237	77	15	1	5961	1	21	36
A-C	0.0	5.6467	-24.433	-18.7862	34	1	1	1348	0	13	18
A-D	-127.1006	2.7623	-465.393	-589.7313	194	29	0	16322	20	48	85
B-C	0.0	0.0	-0.001	-0.001	2	0	0	3	0	2	1
B-D	0.0	0.0	-4.1362	-4.1362	19	2	0	279	0	12	4

Interface residues

• A-B: ALA179A, ALA263B, ALA493B, ALA80B, ARG235B, ARG319A, ARG476A, ARG479A, ARG490B, ARG491B, ARG496B, ASN242A, ASN261B, ASN494B, ASP248A, GLN279A, GLN468A, GLU172A, GLU227B, GLU267B, GLU455B, GLY225B, GLY228B, GLY79B, HIS245A, HIS488B, HIS516B, ILE171A, ILE173A, ILE224B, ILE249A, LEU170A, LEU222B, LEU229B, LEU246A, LEU252A, LEU265B, LEU268B, LEU293B, LEU317A, LEU492B, LYS146A, LYS169A, LYS223B, LYS226B, LYS247A, LYS277A, LYS292B, LYS477A, LYS497B, MET175A, PHE178A, PHE262B, PHE278A, PRO176A, PRO177A, PRO220B, PRO230B, PRO232B, PRO264B, PRO275A, SER243A, SER266B, SER276A, SER294B, SER318A, SER475A, SER489B, THR174A, THR274A, THR469A, THR473A, THR495B, TYR244A, TYR481A, VAL231B, VAL474A
• A-C: ALA295A, ALA420C, ARG235A, ARG424C, ARG92C, ASN242A, ASN288A, GLN279A, GLN378C, GLU227A, GLU239A, GLU291A, GLU532C, GLU93C, GLY228A, LEU229A, LEU293A, LYS226A, LYS289A, LYS292A, LYS386C, PHE380C, PRO230A, PRO232A, PRO340A, PRO341A, PRO384C, SER280A, SER383C, THR382C, TRP387C, TYR287A, VAL231A, VAL381C
• A-D: ALA154A, ALA154D, ALA156A, ALA156D, ALA179A, ALA464A, ALA464D, ALA531A, ALA531D, ALA539A, ALA539D, ARG155A, ARG155D, ARG408A, ARG408D, ARG479A, ARG92A, ARG92D, ASN202A, ASN202D, ASN203A, ASN203D, ASN210A, ASN210D, ASN409A, ASN409D, ASN432A, ASN432D, ASN465A, ASN465D, ASN480A, ASN480D, ASP529A, ASP529D, ASP533A, ASP533D, ASP88A, CYS535A, CYS535D, CYS537A, CYS537D, GLN123A, GLN123D, GLN145A, GLN145D, GLN214A, GLN396A, GLN396D, GLN399A, GLN399D, GLU125A, GLU125D, GLU153A, GLU153D, GLU208A, GLU208D, GLU377A, GLU377D, GLU405A, GLU405D, GLU482A, GLU482D, GLU532A, GLU532D, GLU534A, GLU534D, GLU541A, GLU541D, GLY147A, GLY147D, GLY391A, GLY391D, HIS181A, HIS181D, HIS182A, HIS182D, HIS394A, HIS394D, HIS542A, HIS542D, HIS543A, HIS543D, HIS544D, HIS545D, ILE149A, ILE149D, ILE152A, ILE152D, ILE313A, ILE313D, LEU211A, LEU211D, LEU385A, LEU385D, LEU398A, LEU398D, LEU466A, LEU466D, LEU530A, LEU530D, LEU538A, LEU538D, LEU540A, LEU540D, LYS146A, LYS146D, LYS184A, LYS184D, LYS386A, LYS386D, LYS401A, LYS401D, LYS434A, LYS434D, MET150A, MET150D, MET175A, MET207A, MET207D, PHE122A, PHE122D, PHE178A, PHE374A, PHE374D, PHE380A, PHE380D, PHE393A, PHE393D, PHE395A, PHE395D, PHE414A, PHE414D, PHE536A, PHE536D, PHE89A, PHE89D, PRO151A, PRO151D, PRO176A, PRO177A, PRO212A, PRO212D, PRO384A, PRO384D, SER121A, SER121D, SER180A, SER180D, SER201A, SER201D, SER206A, SER206D, SER311A, SER311D, SER312A, SER312D, SER383A, SER388A, SER388D, SER389A, SER389D, SER390A, SER390D, SER402A, SER402D, SER463A, SER463D, SER467A, SER467D, THR148A, THR148D, THR183A, THR183D, THR205A, THR205D, THR310A, THR310D, THR469A, TRP387A, TRP387D, TRP392A, TRP392D, TYR124A, TYR124D, TYR397A, TYR397D, TYR404A, TYR404D, TYR528A, TYR528D, TYR90A, TYR90D, VAL381A, VAL381D
• B-C: ARG496C, PHE278B
• B-D: ALA320D, ARG319D, ARG321D, ARG476D, ARG479D, ASN192B, ASN494B, ASN513B, ASP101B, GLU112B, HIS545D, LEU221B, LYS223B, LYS400D, PRO176D, PRO177D, PRO514B, THR111B, THR113B