3G1U

crystal structure of leishmania major s- adenosylhomocysteine hydrolase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 185
  • Norm. En. per Res.: -3.2397
• 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	-125.845	-16.842	-436.91	-579.597	181	26	5	18087	12	86	83
A-C	-2.7138	19.2079	-110.455	-93.9609	56	1	0	3999	0	8	7
A-D	-59.119	13.6832	-418.817	-464.2528	172	15	20	18257	5	53	21
B-C	-70.3113	-8.2325	-494.624	-573.1678	188	15	21	20762	4	59	25
B-D	0.0	19.434	-103.332	-83.898	57	7	0	4206	0	8	7
C-D	-153.0316	0.3576	-446.662	-599.336	185	26	5	18171	11	84	82

Interface residues

• A-B: ALA18A, ALA18B, ALA205A, ALA205B, ALA211A, ALA211B, ALA229A, ALA229B, ALA22A, ALA22B, ALA230A, ALA230B, ALA233A, ALA233B, ALA236A, ALA236B, ALA293B, ALA349A, ALA349B, ALA405A, ALA405B, ALA409A, ALA409B, ARG16A, ARG16B, ARG195A, ARG195B, ARG204A, ARG204B, ARG232A, ARG232B, ARG237A, ARG237B, ARG290A, ARG290B, ARG326A, ARG326B, ARG333B, ASN24A, ASN24B, ASN359A, ASN359B, ASN84A, ASN84B, ASP189A, ASP189B, ASP200A, ASP200B, ASP207A, ASP207B, ASP267A, ASP267B, ASP291A, ASP291B, ASP292A, ASP292B, ASP325A, ASP325B, CYS194A, CYS194B, CYS227B, CYS348A, CYS348B, GLN56A, GLN56B, GLN82A, GLN82B, GLU13A, GLU13B, GLU196A, GLU196B, GLU20A, GLU20B, GLU23A, GLU23B, GLU25A, GLU25B, GLU319A, GLU319B, GLY15A, GLY15B, GLY193A, GLY193B, GLY201A, GLY201B, GLY212A, GLY212B, GLY226A, GLY226B, GLY235A, GLY235B, GLY351A, GLY351B, GLY408A, GLY408B, HIS269A, HIS269B, HIS317B, HIS334A, HIS334B, HIS352A, HIS352B, HIS403A, HIS406A, HIS406B, ILE19A, ILE19B, ILE202A, ILE202B, ILE210A, ILE210B, ILE294A, ILE294B, ILE320A, ILE320B, ILE335A, ILE335B, ILE336A, ILE336B, LEU191B, LEU198A, LEU198B, LEU21A, LEU21B, LEU231A, LEU231B, LEU338A, LEU338B, LEU404B, LYS17A, LYS17B, LYS203A, LYS203B, LYS213A, LYS213B, LYS321A, LYS321B, LYS410A, MET209A, MET209B, MET357A, MET357B, PHE234A, PHE234B, PHE355A, PHE355B, PRO27A, PRO322A, PRO322B, PRO353A, PRO353B, SER197A, SER197B, SER350A, SER350B, SER354A, SER354B, SER358A, THR206A, THR206B, THR214A, THR214B, TRP14A, TRP14B, TYR192A, TYR192B, TYR327A, VAL199A, VAL199B, VAL208A, VAL208B, VAL318A, VAL318B, VAL324A, VAL324B, VAL356A, VAL356B, VAL407A, VAL407B, VAL55A, VAL55B
• A-C: ALA211A, ALA211C, ALA233A, ALA233C, ALA236A, ALA236C, ALA251A, ALA251C, ALA259A, ALA259C, ARG232A, ARG232C, ARG237A, ARG237C, ASP267A, ASP267C, GLN250A, GLN250C, GLN257A, GLN257C, GLU254A, GLU254C, GLY212A, GLY212C, GLY235A, GLY235C, GLY255A, GLY255C, ILE210A, ILE210C, LEU231A, LEU231C, LEU249A, LEU249C, LYS213A, LYS213C, MET209A, MET209C, MET253A, MET253C, PHE234A, PHE234C, SER252A, SER252C, THR214A, THR214C, TYR256A, TYR256C, VAL238A, VAL238C, VAL239A, VAL239C, VAL240C, VAL258A, VAL258C, VAL264C
• A-D: ALA229A, ALA229D, ALA248A, ALA248D, ALA251A, ALA251D, ALA259A, ALA259D, ALA394A, ALA394D, ALA400A, ALA400D, ALA401A, ALA401D, ALA405A, ALA405D, ALA409A, ALA409D, ALA419A, ALA419D, ARG195A, ARG195D, ARG232A, ARG232D, ASN247A, ASN247D, ASN277A, ASN277D, ASN359A, ASN359D, ASN423D, ASP189A, ASP189D, ASP222D, ASP244A, ASP244D, ASP263A, ASP263D, ASP278A, ASP278D, ASP279A, ASP279D, ASP396A, ASP396D, CYS218A, CYS218D, GLN250A, GLN250D, GLN257A, GLN257D, GLN306A, GLN306D, GLN418A, GLN418D, GLU196A, GLU196D, GLU242A, GLU242D, GLU254A, GLU254D, GLU262A, GLU262D, GLU304A, GLU304D, GLU397A, GLU397D, GLU420A, GLU420D, GLY193A, GLY193D, GLY219A, GLY219D, GLY255A, GLY255D, GLY276A, GLY408A, GLY408D, HIS285A, HIS285D, HIS403A, HIS403D, HIS406A, HIS406D, ILE246A, ILE246D, ILE280A, ILE280D, ILE281A, ILE281D, ILE422D, LEU191A, LEU191D, LEU249A, LEU249D, LEU260A, LEU260D, LEU395A, LEU395D, LEU402A, LEU402D, LEU404A, LEU404D, LEU411A, LEU411D, LEU414A, LEU414D, LYS161A, LYS165A, LYS165D, LYS169A, LYS169D, LYS187D, LYS225A, LYS225D, LYS393A, LYS393D, LYS398A, LYS398D, LYS410A, LYS410D, LYS413A, LYS413D, LYS417A, LYS417D, MET253A, MET253D, PHE188A, PHE188D, PHE355A, PHE355D, PRO245A, PRO245D, PRO353A, PRO353D, SER168A, SER252A, SER252D, SER358A, SER358D, THR241A, THR241D, THR275A, THR275D, THR282A, THR282D, THR303D, THR412A, THR412D, THR415A, THR415D, TYR192A, TYR192D, TYR220A, TYR220D, TYR256A, TYR256D, TYR421D, VAL239A, VAL240A, VAL240D, VAL243A, VAL243D, VAL258A, VAL258D, VAL261A, VAL261D, VAL356A, VAL356D, VAL399A, VAL399D, VAL407A, VAL407D
• B-C: ALA248B, ALA248C, ALA251B, ALA251C, ALA259B, ALA259C, ALA394B, ALA394C, ALA400B, ALA400C, ALA401B, ALA401C, ALA405B, ALA405C, ALA409B, ALA409C, ALA419B, ALA419C, ARG166B, ARG195B, ARG195C, ARG232B, ARG232C, ASN162B, ASN247B, ASN247C, ASN277B, ASN277C, ASN359B, ASN359C, ASN423C, ASP189B, ASP222B, ASP222C, ASP244B, ASP244C, ASP263B, ASP263C, ASP278B, ASP278C, ASP279B, ASP279C, ASP396B, ASP396C, CYS218B, CYS218C, CYS424C, GLN250B, GLN250C, GLN257B, GLN257C, GLN306B, GLN306C, GLN418B, GLN418C, GLU196B, GLU196C, GLU242B, GLU242C, GLU254B, GLU254C, GLU262B, GLU262C, GLU304B, GLU304C, GLU397B, GLU397C, GLU420B, GLU420C, GLY193B, GLY219B, GLY219C, GLY221B, GLY224B, GLY255B, GLY255C, GLY276B, GLY408B, GLY408C, HIS285B, HIS285C, HIS403B, HIS403C, HIS406B, HIS406C, ILE246B, ILE246C, ILE280B, ILE280C, ILE281B, ILE281C, ILE422C, LEU167B, LEU191B, LEU191C, LEU249B, LEU249C, LEU260B, LEU260C, LEU395B, LEU395C, LEU402B, LEU402C, LEU404B, LEU404C, LEU411B, LEU411C, LEU414B, LEU414C, LYS161B, LYS161C, LYS165B, LYS165C, LYS169B, LYS169C, LYS185C, LYS187C, LYS225B, LYS225C, LYS393B, LYS393C, LYS398B, LYS398C, LYS410B, LYS410C, LYS413B, LYS413C, LYS417B, LYS417C, LYS431C, MET253B, MET253C, PHE188B, PHE188C, PHE301B, PHE355B, PHE355C, PHE430C, PRO245B, PRO245C, PRO27C, PRO353B, PRO429C, SER168B, SER252B, SER252C, SER358B, SER358C, THR157B, THR158B, THR241B, THR241C, THR275B, THR275C, THR282B, THR282C, THR303B, THR303C, THR412B, THR412C, THR415B, THR415C, TYR164B, TYR192B, TYR192C, TYR220B, TYR220C, TYR256B, TYR256C, TYR421C, VAL223B, VAL239B, VAL239C, VAL240B, VAL240C, VAL243B, VAL243C, VAL258B, VAL258C, VAL261B, VAL261C, VAL356B, VAL356C, VAL399B, VAL399C, VAL407B, VAL407C, VAL426C
• B-D: ALA211B, ALA211D, ALA233B, ALA233D, ALA236B, ALA236D, ALA251B, ALA251D, ALA259B, ALA259D, ARG232B, ARG232D, ARG237B, ARG237D, ASP267B, ASP267D, GLN250B, GLN250D, GLN257B, GLN257D, GLU254B, GLU254D, GLY212B, GLY212D, GLY235B, GLY235D, GLY255B, GLY255D, ILE210B, ILE210D, LEU231B, LEU231D, LEU249B, LEU249D, LYS213B, LYS213D, MET209B, MET209D, MET253B, MET253D, PHE234B, PHE234D, SER252B, SER252D, THR214B, THR214D, TYR256B, TYR256D, VAL238B, VAL238D, VAL239B, VAL239D, VAL240B, VAL240D, VAL258B, VAL258D, VAL264B
• C-D: ALA18C, ALA18D, ALA205C, ALA205D, ALA211C, ALA211D, ALA229C, ALA229D, ALA22C, ALA22D, ALA230C, ALA230D, ALA233C, ALA233D, ALA236C, ALA236D, ALA293C, ALA293D, ALA349C, ALA349D, ALA405C, ALA405D, ALA409C, ALA409D, ARG16C, ARG16D, ARG195C, ARG195D, ARG204C, ARG204D, ARG232C, ARG232D, ARG237C, ARG237D, ARG290C, ARG290D, ARG326C, ARG326D, ARG333C, ARG333D, ASN24C, ASN24D, ASN359C, ASN359D, ASN84C, ASN84D, ASP189C, ASP189D, ASP200C, ASP200D, ASP207C, ASP207D, ASP267C, ASP267D, ASP291C, ASP291D, ASP292C, ASP292D, ASP325C, ASP325D, CYS194C, CYS194D, CYS227D, CYS348C, CYS348D, GLN56C, GLN56D, GLN82C, GLN82D, GLU13C, GLU13D, GLU196C, GLU196D, GLU20C, GLU20D, GLU23C, GLU23D, GLU25C, GLU25D, GLU319C, GLU319D, GLY15C, GLY15D, GLY193C, GLY193D, GLY201C, GLY201D, GLY212C, GLY212D, GLY226C, GLY226D, GLY235C, GLY235D, GLY351C, GLY351D, GLY408C, GLY408D, HIS269C, HIS269D, HIS317C, HIS334C, HIS334D, HIS352C, HIS352D, HIS403C, HIS406C, HIS406D, ILE19C, ILE19D, ILE202C, ILE202D, ILE210C, ILE210D, ILE294C, ILE294D, ILE320C, ILE320D, ILE336C, ILE336D, LEU191D, LEU198C, LEU198D, LEU21C, LEU21D, LEU231C, LEU231D, LEU338C, LEU338D, LEU404C, LEU404D, LYS17C, LYS17D, LYS203C, LYS203D, LYS213C, LYS213D, LYS321C, LYS321D, LYS410C, LYS410D, MET209C, MET209D, MET357C, MET357D, PHE188C, PHE188D, PHE234C, PHE234D, PHE355C, PHE355D, PRO27C, PRO27D, PRO322C, PRO322D, PRO353C, PRO353D, SER197C, SER197D, SER350C, SER350D, SER354C, SER354D, SER358C, THR206C, THR206D, THR214C, THR214D, TRP14C, TRP14D, TYR192C, TYR192D, VAL199C, VAL199D, VAL208C, VAL208D, VAL318C, VAL318D, VAL324C, VAL324D, VAL356C, VAL356D, VAL407C, VAL407D, VAL55C, VAL55D