1M6V

crystal structure of the g359f (small subunit) point mutant of carbamoyl phosphate synthetase

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: G-H
  • Int. Res.: 218
  • Norm. En. per Res.: -4.2761
• 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	-104.0705	-187.7571	-619.5	-911.3277	219	37	7	25449	15	107	80
A-E	-38.0475	-11.5885	-124.839	-174.475	67	3	2	5320	0	32	30
A-G	0.0	-31.6684	-149.581	-181.2493	65	11	5	6087	2	22	27
B-F	0.0	0.0	-0.1008	-0.1008	6	0	0	34	0	4	6
C-D	-119.1874	-165.848	-636.712	-921.7474	224	44	7	25755	14	107	80
C-E	0.0	-37.6203	-150.469	-188.0893	63	10	5	5848	2	24	27
C-G	-28.8203	6.346	-107.572	-130.0463	66	5	2	5173	0	32	26
D-H	0.0	0.0	-0.0519	-0.0519	4	0	0	24	0	2	6
E-F	-112.1292	-165.6247	-623.691	-901.4449	219	36	7	25446	14	106	81
G-H	-127.18	-166.1069	-638.901	-932.188	218	39	7	25639	14	106	80

Interface residues

• A-B: ALA111B, ALA251A, ALA253A, ALA270A, ALA309B, ALA346A, ALA356B, ALA533A, ALA534A, ALA537A, ALA68B, ALA89B, ARG116B, ARG120B, ARG123B, ARG18B, ARG203B, ARG207B, ARG265A, ARG273A, ARG294A, ARG343A, ARG389A, ARG460A, ARG471A, ARG494A, ARG528A, ARG83B, ARG93B, ASN204B, ASN225A, ASN227A, ASN266A, ASN289A, ASN292A, ASN294B, ASN303B, ASN337A, ASN33B, ASN554A, ASN62B, ASN66B, ASN91B, ASN94B, ASP112B, ASP114B, ASP223A, ASP226A, ASP258A, ASP333A, ASP334B, ASP353A, ASP450A, ASP459A, ASP487A, ASP530A, ASP67B, ASP69B, ASP84B, CYS228A, CYS232A, CYS532A, CYS551A, GLN14B, GLN254A, GLN262A, GLN310B, GLN391A, GLN392A, GLN40B, GLN465A, GLU124B, GLU235A, GLU260A, GLU334A, GLU349A, GLU355B, GLU393A, GLU41B, GLU467A, GLU468A, GLU535A, GLU548A, GLU549A, GLU550A, GLU552A, GLU70B, GLU71B, GLY17B, GLY180B, GLY289B, GLY292B, GLY293A, GLY293B, GLY335B, GLY388A, GLY38B, GLY496A, GLY61B, GLY64B, HIS16B, HIS290B, HIS291B, HIS295B, HIS59B, ILE113B, ILE229A, ILE230A, ILE263A, ILE2B, ILE307B, ILE339A, ILE352A, ILE42B, ILE466A, ILE60B, ILE82B, ILE88B, LEU118B, LEU121B, LEU122B, LEU177B, LEU181B, LEU256A, LEU295A, LEU332A, LEU332B, LEU395A, LEU463A, LEU469A, LEU472A, LEU55B, LEU85B, LEU87B, LYS117B, LYS214A, LYS259A, LYS291A, LYS298B, LYS302B, LYS495A, LYS527A, MET1A, MET218A, MET269A, MET306B, MET336A, MET36B, MET543A, PHE15B, PHE288B, PHE32B, PHE333B, PHE348A, PHE453A, PHE462A, PHE536A, PHE92B, PRO252A, PRO290A, PRO296B, PRO2A, PRO345A, PRO350A, PRO358B, PRO58B, PRO86B, SER174B, SER233A, SER331B, SER347A, SER351A, SER357B, SER35B, SER394A, SER90B, THR115B, THR119B, THR176B, THR178B, THR255A, THR257A, THR308B, THR315A, THR331A, THR340A, THR344A, THR34B, THR37B, THR390A, THR531A, THR538A, THR546A, THR56B, THR65B, TRP175B, TRP461A, TYR216A, TYR261A, TYR354A, TYR39B, TYR526A, TYR542A, TYR544A, TYR547A, TYR57B, VAL231A, VAL250A, VAL288A, VAL297B, VAL304B, VAL305B, VAL355A, VAL356A, VAL449A, VAL464A, VAL525A, VAL529A, VAL63B
• A-E: ALA420A, ALA420E, ALA442A, ALA442E, ALA445A, ALA445E, ARG425A, ARG425E, ARG426A, ARG426E, ARG444A, ARG444E, ARG471A, ARG471E, ASN454A, ASN454E, ASP416A, ASP416E, ASP417A, ASP417E, ASP450A, ASP450E, GLU419A, GLU419E, GLU467A, GLU467E, GLU474A, GLU474E, GLU478A, GLU478E, GLY446A, GLY446E, GLY451A, GLY451E, ILE424A, ILE424E, LEU415A, LEU415E, LEU421A, LEU421E, LEU428A, LEU428E, LEU447A, LEU447E, LEU455A, LEU455E, LYS291A, LYS291E, LYS423A, LYS423E, LYS429A, LYS429E, PHE443A, PHE443E, PHE453E, PRO418A, PRO418E, SER414A, SER414E, SER448A, SER448E, THR422A, THR422E, VAL449A, VAL449E, VAL452A, VAL452E
• A-G: ALA973A, ALA973G, ALA978A, ALA978G, ALA984A, ALA984G, ARG1004A, ARG1004G, ARG944A, ARG944G, ARG989A, ARG989G, ARG998A, ARG998G, ASN987A, ASN987G, ASN992A, ASN992G, ASP972A, ASP972G, GLU970A, GLU970G, GLU983A, GLU983G, GLU996A, GLU996G, GLY976A, GLY976G, GLY982A, GLY982G, GLY985A, GLY985G, GLY997A, GLY997G, HIS1000A, HIS1000G, HIS975A, HIS975G, HIS995A, HIS995G, ILE979A, ILE979G, ILE986A, ILE986G, LEU965A, LEU971A, LEU971G, LEU981A, LEU981G, LEU990A, LEU990G, LYS993A, LYS993G, PRO988A, PRO988G, PRO999A, PRO999G, THR974A, THR974G, THR977A, THR977G, VAL980A, VAL980G, VAL991A, VAL991G
• B-F: ARG104B, ARG104F, ASP136B, GLU96F, LYS3B, LYS3F
• C-D: ALA111D, ALA251C, ALA253C, ALA270C, ALA309D, ALA346C, ALA356D, ALA363D, ALA533C, ALA534C, ALA537C, ALA553C, ALA68D, ALA89D, ARG116D, ARG120D, ARG123D, ARG18D, ARG203D, ARG207D, ARG265C, ARG273C, ARG294C, ARG343C, ARG389C, ARG460C, ARG471C, ARG490C, ARG494C, ARG528C, ARG83D, ARG93D, ASN204D, ASN225C, ASN227C, ASN266C, ASN289C, ASN292C, ASN294D, ASN303D, ASN337C, ASN33D, ASN554C, ASN62D, ASN66D, ASN91D, ASN94D, ASP112D, ASP114D, ASP223C, ASP226C, ASP258C, ASP299D, ASP333C, ASP334D, ASP353C, ASP450C, ASP459C, ASP487C, ASP530C, ASP67D, ASP69D, ASP84D, CYS228C, CYS232C, CYS532C, CYS551C, GLN14D, GLN254C, GLN262C, GLN310D, GLN391C, GLN392C, GLN40D, GLN465C, GLU124D, GLU235C, GLU260C, GLU334C, GLU349C, GLU355D, GLU393C, GLU41D, GLU467C, GLU468C, GLU535C, GLU548C, GLU549C, GLU550C, GLU552C, GLU70D, GLU71D, GLY17D, GLY180D, GLY289D, GLY292D, GLY293C, GLY293D, GLY335D, GLY388C, GLY38D, GLY496C, GLY61D, GLY64D, HIS16D, HIS290D, HIS291D, HIS295D, HIS59D, ILE113D, ILE229C, ILE230C, ILE263C, ILE2D, ILE307D, ILE352C, ILE42D, ILE458C, ILE466C, ILE60D, ILE82D, ILE88D, LEU118D, LEU121D, LEU122D, LEU177D, LEU181D, LEU256C, LEU295C, LEU332C, LEU332D, LEU395C, LEU463C, LEU469C, LEU472C, LEU55D, LEU85D, LEU87D, LYS117D, LYS214C, LYS224C, LYS259C, LYS291C, LYS298D, LYS302D, LYS495C, LYS527C, MET1C, MET218C, MET269C, MET306D, MET336C, MET36D, MET543C, PHE15D, PHE288D, PHE32D, PHE333D, PHE348C, PHE453C, PHE462C, PHE536C, PHE92D, PRO252C, PRO290C, PRO296D, PRO2C, PRO345C, PRO350C, PRO358D, PRO58D, PRO86D, SER174D, SER233C, SER331D, SER347C, SER351C, SER357D, SER35D, SER394C, SER90D, THR115D, THR119D, THR176D, THR178D, THR255C, THR257C, THR308D, THR315C, THR331C, THR340C, THR344C, THR34D, THR37D, THR390C, THR531C, THR538C, THR546C, THR56D, THR65D, TRP175D, TRP461C, TYR216C, TYR261C, TYR354C, TYR39D, TYR526C, TYR542C, TYR544C, TYR547C, TYR57D, VAL231C, VAL250C, VAL288C, VAL297D, VAL304D, VAL305D, VAL355C, VAL356C, VAL449C, VAL464C, VAL525C, VAL529C, VAL63D
• C-E: ALA973C, ALA973E, ALA978C, ALA978E, ALA984C, ALA984E, ARG1004C, ARG1004E, ARG944C, ARG944E, ARG989C, ARG989E, ARG998C, ARG998E, ASN987C, ASN987E, ASN992C, ASN992E, ASP972C, ASP972E, GLU970C, GLU970E, GLU983C, GLU983E, GLU996C, GLU996E, GLY976C, GLY976E, GLY982C, GLY982E, GLY985C, GLY985E, GLY997C, GLY997E, HIS1000C, HIS1000E, HIS975C, HIS975E, HIS995E, ILE979C, ILE979E, ILE986C, ILE986E, LEU971C, LEU971E, LEU981C, LEU981E, LEU990C, LEU990E, LYS993C, LYS993E, PRO988C, PRO988E, PRO999C, PRO999E, THR974C, THR974E, THR977C, THR977E, VAL980C, VAL980E, VAL991C, VAL991E
• C-G: ALA420C, ALA420G, ALA442C, ALA442G, ALA445C, ALA445G, ARG425C, ARG425G, ARG426C, ARG426G, ARG444C, ARG444G, ARG471C, ARG471G, ASN454C, ASN454G, ASP416C, ASP416G, ASP417C, ASP417G, ASP450C, ASP450G, GLU419C, GLU419G, GLU467C, GLU467G, GLU474C, GLU474G, GLU478C, GLU478G, GLY446C, GLY446G, GLY451C, GLY451G, ILE424C, ILE424G, LEU415C, LEU415G, LEU421C, LEU421G, LEU428C, LEU428G, LEU447C, LEU447G, LEU455C, LEU455G, LYS291C, LYS291G, LYS423C, LYS423G, LYS429C, LYS429G, PHE443C, PHE443G, PRO418C, PRO418G, SER414C, SER414G, SER448C, SER448G, THR422C, THR422G, VAL449C, VAL449G, VAL452C, VAL452G
• D-H: ARG104D, ARG104H, LYS3D, LYS3H
• E-F: ALA111F, ALA251E, ALA253E, ALA309F, ALA346E, ALA356F, ALA533E, ALA534E, ALA537E, ALA553E, ALA68F, ALA89F, ARG116F, ARG120F, ARG123F, ARG18F, ARG207F, ARG265E, ARG273E, ARG294E, ARG343E, ARG389E, ARG460E, ARG471E, ARG490E, ARG494E, ARG528E, ARG83F, ARG93F, ASN204F, ASN225E, ASN227E, ASN266E, ASN289E, ASN292E, ASN294F, ASN303F, ASN337E, ASN33F, ASN554E, ASN62F, ASN66F, ASN91F, ASN94F, ASP112F, ASP114F, ASP223E, ASP226E, ASP258E, ASP299F, ASP333E, ASP334F, ASP353E, ASP459E, ASP487E, ASP530E, ASP67F, ASP69F, ASP84F, CYS228E, CYS232E, CYS532E, CYS551E, GLN14F, GLN254E, GLN262E, GLN310F, GLN391E, GLN392E, GLN40F, GLN465E, GLN491E, GLU124F, GLU235E, GLU260E, GLU334E, GLU349E, GLU355F, GLU393E, GLU41F, GLU467E, GLU468E, GLU535E, GLU548E, GLU549E, GLU550E, GLU552E, GLU70F, GLU71F, GLY17F, GLY180F, GLY289F, GLY292F, GLY293E, GLY293F, GLY335F, GLY388E, GLY38F, GLY61F, GLY64F, HIS16F, HIS290F, HIS291F, HIS295F, HIS59F, ILE113F, ILE229E, ILE230E, ILE263E, ILE2F, ILE307F, ILE352E, ILE42F, ILE458E, ILE466E, ILE60F, ILE82F, ILE88F, LEU118F, LEU121F, LEU122F, LEU177F, LEU181F, LEU256E, LEU295E, LEU332E, LEU332F, LEU335E, LEU395E, LEU463E, LEU469E, LEU472E, LEU55F, LEU85F, LEU87F, LYS117F, LYS214E, LYS259E, LYS291E, LYS298F, LYS302F, LYS495E, LYS527E, MET1E, MET269E, MET306F, MET336E, MET36F, MET543E, PHE15F, PHE288F, PHE32F, PHE333F, PHE348E, PHE453E, PHE462E, PHE536E, PHE92F, PRO252E, PRO290E, PRO296F, PRO2E, PRO345E, PRO350E, PRO358F, PRO58F, PRO86F, SER174F, SER233E, SER331F, SER347E, SER351E, SER357F, SER35F, SER394E, SER90F, THR115F, THR119F, THR176F, THR178F, THR255E, THR257E, THR308F, THR315E, THR331E, THR340E, THR344E, THR34F, THR37F, THR390E, THR531E, THR538E, THR546E, THR56F, THR65F, TRP175F, TRP461E, TYR216E, TYR261E, TYR354E, TYR39F, TYR526E, TYR542E, TYR544E, TYR547E, TYR57F, VAL231E, VAL250E, VAL288E, VAL297F, VAL304F, VAL305F, VAL355E, VAL356E, VAL449E, VAL464E, VAL525E, VAL529E, VAL63F
• G-H: ALA111H, ALA251G, ALA253G, ALA309H, ALA346G, ALA356H, ALA533G, ALA534G, ALA537G, ALA553G, ALA68H, ALA89H, ARG116H, ARG120H, ARG123H, ARG18H, ARG207H, ARG265G, ARG273G, ARG294G, ARG343G, ARG389G, ARG460G, ARG471G, ARG490G, ARG494G, ARG528G, ARG83H, ARG93H, ASN204H, ASN225G, ASN227G, ASN266G, ASN289G, ASN292G, ASN294H, ASN303H, ASN337G, ASN33H, ASN554G, ASN62H, ASN66H, ASN91H, ASN94H, ASP112H, ASP114H, ASP223G, ASP226G, ASP258G, ASP299H, ASP333G, ASP334H, ASP353G, ASP450G, ASP459G, ASP487G, ASP530G, ASP67H, ASP69H, ASP84H, CYS228G, CYS232G, CYS532G, CYS551G, GLN14H, GLN254G, GLN262G, GLN310H, GLN391G, GLN392G, GLN40H, GLN465G, GLU124H, GLU235G, GLU260G, GLU334G, GLU349G, GLU355H, GLU393G, GLU41H, GLU467G, GLU468G, GLU535G, GLU548G, GLU549G, GLU550G, GLU552G, GLU70H, GLU71H, GLY17H, GLY180H, GLY289H, GLY292H, GLY293G, GLY293H, GLY335H, GLY388G, GLY38H, GLY61H, GLY64H, HIS16H, HIS290H, HIS291H, HIS295H, HIS59H, ILE113H, ILE229G, ILE230G, ILE263G, ILE2H, ILE307H, ILE339G, ILE352G, ILE42H, ILE466G, ILE60H, ILE82H, ILE88H, LEU118H, LEU121H, LEU122H, LEU177H, LEU181H, LEU256G, LEU295G, LEU332G, LEU332H, LEU395G, LEU463G, LEU469G, LEU472G, LEU55H, LEU85H, LEU87H, LYS117H, LYS214G, LYS224G, LYS259G, LYS291G, LYS298H, LYS302H, LYS495G, LYS527G, MET1G, MET269G, MET306H, MET336G, MET36H, MET543G, PHE15H, PHE288H, PHE32H, PHE333H, PHE348G, PHE453G, PHE462G, PHE536G, PHE92H, PRO252G, PRO290G, PRO296H, PRO345G, PRO350G, PRO358H, PRO58H, PRO86H, SER174H, SER233G, SER331H, SER347G, SER351G, SER357H, SER35H, SER394G, SER90H, THR115H, THR119H, THR176H, THR178H, THR255G, THR257G, THR308H, THR315G, THR331G, THR340G, THR344G, THR34H, THR37H, THR390G, THR531G, THR538G, THR546G, THR56H, THR65H, TRP175H, TRP461G, TYR216G, TYR261G, TYR354G, TYR39H, TYR526G, TYR542G, TYR544G, TYR547G, TYR57H, VAL231G, VAL250G, VAL288G, VAL297H, VAL304H, VAL305H, VAL355G, VAL356G, VAL449G, VAL464G, VAL525G, VAL529G, VAL63H