2V8V

crystal structure of mutant r322a of beta-alanine synthase from saccharomyces kluyveri

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 198
  • Norm. En. per Res.: -3.1715
• 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	-18.2808	-53.1346	-538.009	-609.4243	200	23	19	22978	4	42	24
A-C	-4.4684	-15.7265	-7.5164	-27.7113	11	1	0	427	0	6	5
A-D	-14.4567	-7.6679	-185.832	-207.9567	116	9	1	8592	1	40	42
B-D	-5.4501	0.0	-8.0669	-13.517	12	0	0	226	0	2	0
C-D	-45.0512	-44.6708	-538.229	-627.951	198	18	17	23094	4	42	23

Interface residues

• A-B: ALA248B, ALA261A, ALA261B, ALA263A, ALA263B, ALA274A, ALA274B, ALA284A, ALA284B, ALA285A, ALA285B, ALA289A, ALA289B, ALA303A, ALA303B, ALA322A, ALA322B, ALA395A, ALA395B, ARG269A, ARG269B, ARG271A, ARG271B, ARG291A, ARG291B, ARG389A, ARG389B, ASN237A, ASN250A, ASN250B, ASN293A, ASN293B, ASN309A, ASN309B, ASN422A, ASN422B, ASP235A, ASP235B, ASP273A, ASP273B, ASP302A, ASP302B, ASP320A, ASP320B, ASP348A, ASP348B, ASP417A, ASP417B, CYS298A, CYS298B, GLN229A, GLN229B, GLN247A, GLN247B, GLN252A, GLN252B, GLN290A, GLN290B, GLN360A, GLN360B, GLU228A, GLU228B, GLU234A, GLU234B, GLU236A, GLU236B, GLU287A, GLU287B, GLY230A, GLY230B, GLY260A, GLY260B, GLY264A, GLY264B, GLY294A, GLY294B, GLY299A, GLY299B, GLY313A, GLY313B, GLY394A, GLY394B, GLY396A, GLY396B, GLY418A, GLY418B, HIS262A, HIS262B, HIS292A, HIS292B, HIS323A, HIS323B, HIS397A, HIS397B, HIS421A, HIS421B, ILE227B, ILE232A, ILE232B, ILE282A, ILE282B, ILE288A, ILE288B, ILE300A, ILE300B, ILE301A, ILE301B, ILE310A, ILE310B, ILE311A, ILE311B, ILE391A, ILE391B, LEU233A, LEU233B, LEU270A, LEU270B, LEU275A, LEU275B, LEU276A, LEU276B, LEU295A, LEU295B, LEU319A, LEU319B, LEU359A, LEU359B, LEU419A, LEU419B, LYS238A, LYS253A, LYS253B, LYS280A, LYS280B, LYS304A, LYS304B, MET277A, MET277B, MET281A, MET281B, MET332A, MET332B, PHE296A, PHE296B, PHE317A, PHE317B, PHE321A, PHE321B, PHE412A, PHE412B, PRO231A, PRO231B, PRO267A, PRO267B, PRO305A, PRO305B, PRO312A, PRO312B, SER278A, SER278B, SER279A, SER279B, SER286A, SER286B, SER307A, SER307B, SER316A, SER316B, SER393A, SER393B, SER415A, SER415B, SER420A, SER420B, THR265A, THR265B, THR266A, THR266B, THR297A, THR297B, THR318A, THR318B, TRP251A, TRP251B, TRP268A, TRP268B, TRP392A, TRP392B, TYR249A, TYR249B, TYR306A, TYR306B, VAL259A, VAL259B, VAL283A, VAL283B, VAL308A, VAL308B, VAL315A, VAL315B
• A-C: ARG269C, ASP348C, GLU181A, GLU182A, LEU180A, LEU270C, LYS92A, PRO267C, SER179A, TRP268C, TYR184A
• A-D: ALA165A, ALA183A, ALA24D, ALA25D, ALA26D, ALA289D, ALA381D, ARG166A, ARG291D, ARG377D, ARG389D, ASN148D, ASN203A, ASN21D, ASN293D, ASN366D, ASN445D, ASN448D, ASP177A, ASP199A, ASP235D, ASP302A, ASP326D, ASP327D, ASP386D, GLN252A, GLN290D, GLN360A, GLN382D, GLN390D, GLN441D, GLU181A, GLU182A, GLU191A, GLU195A, GLU236D, GLU314A, GLU335D, GLU355A, GLU357A, GLU369D, GLU373D, GLY185A, GLY190A, GLY245D, GLY294D, HIS176A, HIS257A, HIS292D, HIS323D, ILE207A, ILE232D, ILE242D, ILE288D, ILE300A, ILE301A, ILE372D, ILE391D, ILE452D, LEU178A, LEU180A, LEU186A, LEU20D, LEU22D, LEU233D, LEU28D, LEU359A, LYS193A, LYS202A, LYS238D, LYS253A, LYS304A, LYS384D, LYS385D, MET187A, MET332D, PHE317A, PHE380D, PHE383D, PRO194A, PRO23D, PRO27D, PRO324D, PRO363A, SER167A, SER172A, SER179A, SER196A, SER316A, SER325D, SER353A, SER356A, SER362A, SER378D, THR19D, THR244D, THR255A, THR318A, THR331D, THR358A, TRP251A, TRP392D, TYR145D, TYR184A, TYR198A, TYR249A, TYR354A, VAL189A, VAL197A, VAL254A, VAL256A, VAL315A, VAL328D, VAL361A, VAL388D, VAL451D
• B-D: ASN104D, ASN21D, LEU20D, LEU22D, LYS103D, SER307B, THR19D, TRP52B, TYR306B, TYR423B, TYR424B, VAL308B
• C-D: ALA248C, ALA261C, ALA261D, ALA263C, ALA263D, ALA274C, ALA274D, ALA284C, ALA284D, ALA285C, ALA285D, ALA289C, ALA289D, ALA303C, ALA303D, ALA322C, ALA322D, ALA395C, ALA395D, ARG269C, ARG269D, ARG271C, ARG271D, ARG291C, ARG291D, ARG389C, ARG389D, ASN237D, ASN250C, ASN250D, ASN293C, ASN293D, ASN309C, ASN309D, ASP235C, ASP235D, ASP273C, ASP273D, ASP302C, ASP302D, ASP320C, ASP320D, ASP348C, ASP348D, ASP417C, ASP417D, CYS298C, CYS298D, GLN229C, GLN229D, GLN247C, GLN247D, GLN252C, GLN252D, GLN290C, GLN290D, GLN360C, GLN360D, GLU228C, GLU228D, GLU234C, GLU234D, GLU236C, GLU236D, GLU287C, GLU287D, GLY230C, GLY230D, GLY260C, GLY260D, GLY264C, GLY264D, GLY294C, GLY294D, GLY299C, GLY299D, GLY313C, GLY313D, GLY394C, GLY394D, GLY396C, GLY396D, GLY418C, GLY418D, HIS262C, HIS262D, HIS292D, HIS323C, HIS323D, HIS397C, HIS397D, HIS421C, HIS421D, ILE227C, ILE227D, ILE232C, ILE232D, ILE282C, ILE282D, ILE288C, ILE288D, ILE300C, ILE300D, ILE301C, ILE301D, ILE310C, ILE310D, ILE311C, ILE311D, ILE391C, ILE391D, LEU233C, LEU233D, LEU270C, LEU270D, LEU275C, LEU275D, LEU276C, LEU276D, LEU295C, LEU295D, LEU319C, LEU319D, LEU343C, LEU359C, LEU359D, LEU419C, LEU419D, LYS253C, LYS253D, LYS280C, LYS280D, LYS304C, LYS304D, MET277C, MET277D, MET281C, MET281D, MET332C, MET332D, PHE296C, PHE296D, PHE317C, PHE317D, PHE321C, PHE321D, PHE412C, PHE412D, PRO231C, PRO231D, PRO267C, PRO267D, PRO305C, PRO305D, PRO312C, PRO312D, SER278C, SER278D, SER279C, SER279D, SER286C, SER286D, SER307C, SER307D, SER316C, SER316D, SER393C, SER393D, SER415C, SER415D, SER420C, SER420D, THR265C, THR265D, THR266C, THR266D, THR297C, THR297D, THR318C, THR318D, TRP251C, TRP251D, TRP268C, TRP268D, TRP392C, TRP392D, TYR249C, TYR249D, TYR306C, TYR306D, VAL259C, VAL259D, VAL283C, VAL283D, VAL308C, VAL308D, VAL315C, VAL315D