3PWG

crystal structure of the mutant s29g.p34a of d-glucarate dehydratase from escherichia coli complexed with product 5-keto-4-deoxy-d- glucarate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 70
  • Norm. En. per Res.: -6.5217
• 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	-90.8327	-165.708	-206.718	-463.2587	83	7	1	6965	10	20	19
A-C	-93.1199	-90.3189	-416.816	-600.2548	147	18	3	15660	6	23	25
A-D	-4.9172	-7.8852	-52.2874	-65.0898	52	0	0	2510	0	10	18
B-C	0.0	-7.9285	-56.1488	-64.0773	52	0	0	2521	0	9	18
B-D	-63.0069	-91.8584	-403.553	-558.4183	149	28	3	15548	7	23	25
C-D	-92.3419	-163.5758	-200.603	-456.5207	70	9	1	6724	10	18	23

Interface residues

• A-B: ALA265A, ALA265B, ALA276A, ALA276B, ALA292A, ALA292B, ALA96A, ALA96B, ARG272A, ARG272B, ARG280A, ARG280B, ARG296A, ARG296B, ARG99A, ARG99B, ASN243A, ASN243B, ASP294A, ASP294B, CYS263A, GLN267A, GLN267B, GLN297A, GLN297B, GLN305A, GLN305B, GLU266A, GLU266B, GLU273A, GLU273B, GLU277A, GLU277B, GLY100A, GLY100B, GLY264A, GLY264B, GLY268A, GLY268B, GLY271A, GLY271B, GLY299A, GLY299B, GLY97A, GLY97B, GLY98A, GLY98B, HIS300A, HIS300B, ILE246A, ILE246B, ILE291A, ILE291B, LEU101A, LEU101B, LEU242A, LEU242B, LEU302A, LEU302B, LEU304A, LEU304B, MET275A, MET275B, MET298A, MET298B, PHE269A, PHE269B, PHE278A, PHE278B, SER270A, SER270B, SER303A, SER303B, SER306A, SER306B, THR293A, THR293B, THR301A, THR301B, TRP295A, TRP295B, VAL274A, VAL274B
• A-C: ALA133A, ALA133C, ALA326A, ALA326C, ALA357A, ALA357C, ARG296A, ARG296C, ARG324A, ARG324C, ARG88A, ARG88C, ASN131A, ASN131C, ASN46A, ASN46C, ASN82A, ASN82C, ASN89A, ASN89C, ASP138A, ASP138C, ASP294A, ASP294C, ASP45A, ASP45C, CYS329A, CYS329C, GLN126A, GLN126C, GLN140A, GLN140C, GLN141A, GLN141C, GLN297A, GLN297C, GLN305A, GLN305C, GLN320A, GLN320C, GLN327A, GLN327C, GLN4C, GLU117C, GLU331A, GLU331C, GLU394A, GLU394C, GLU79A, GLU79C, GLY125A, GLY125C, GLY129A, GLY129C, GLY137A, GLY137C, GLY139A, GLY139C, GLY299A, GLY299C, GLY321A, GLY321C, GLY333A, GLY333C, GLY48A, GLY48C, GLY78A, GLY78C, HIS127A, HIS127C, HIS300A, HIS300C, HIS330A, HIS330C, HIS49A, HIS49C, LEU121A, LEU121C, LEU124A, LEU124C, LEU128A, LEU128C, LEU135A, LEU135C, LEU136A, LEU136C, LEU302A, LEU302C, LEU304A, LEU304C, LEU77A, LEU77C, LEU84A, LEU84C, LEU86A, LEU86C, LYS81A, LYS81C, MET298A, MET298C, MET328A, MET328C, PHE332A, PHE332C, PHE5A, PHE5C, PRO359A, PRO359C, PRO8A, PRO8C, SER134A, SER134C, SER303A, SER303C, SER47A, SER47C, THR301A, THR301C, THR318A, THR318C, THR6A, THR6C, THR76A, THR76C, THR7A, THR7C, THR85A, THR85C, TRP295A, TRP295C, TRP317A, TRP317C, TYR80A, TYR80C, VAL113C, VAL130A, VAL130C, VAL132A, VAL132C, VAL323A, VAL323C, VAL325A, VAL325C, VAL83A, VAL83C, VAL9A, VAL9C
• A-D: ALA276A, ALA276D, ALA281A, ALA281D, ARG279A, ARG279D, ARG280A, ARG280D, ASP308A, ASP308D, CYS329A, CYS329D, GLN305A, GLN305D, GLU277A, GLU277D, GLU331A, GLU331D, GLY283A, GLY283D, GLY333A, GLY333D, LEU284A, LEU284D, LEU302A, LEU302D, LEU304A, LEU304D, LEU334A, LEU334D, LYS250A, LYS250D, LYS253A, LYS253D, LYS361A, LYS361D, PHE332A, PHE332D, PRO285A, PRO285D, SER303A, SER303D, SER306A, SER306D, THR282A, THR282D, THR301A, THR301D, THR335A, THR335D, VAL307A, VAL307D
• B-C: ALA276B, ALA276C, ALA281B, ALA281C, ARG279B, ARG279C, ARG280B, ARG280C, ASP308B, ASP308C, CYS329B, CYS329C, GLN305B, GLN305C, GLU277B, GLU277C, GLU331B, GLU331C, GLY283B, GLY283C, GLY333B, GLY333C, LEU284B, LEU284C, LEU302B, LEU302C, LEU304B, LEU304C, LEU334B, LEU334C, LYS250B, LYS250C, LYS253B, LYS253C, LYS361B, LYS361C, PHE332B, PHE332C, PRO285B, PRO285C, SER303B, SER303C, SER306B, SER306C, THR282B, THR282C, THR301B, THR301C, THR335B, THR335C, VAL307B, VAL307C
• B-D: ALA133B, ALA133D, ALA326B, ALA326D, ALA357B, ALA357D, ARG296B, ARG296D, ARG324B, ARG324D, ARG88B, ARG88D, ASN131B, ASN131D, ASN46B, ASN46D, ASN82B, ASN82D, ASN89B, ASN89D, ASP138B, ASP138D, ASP294B, ASP294D, ASP45B, ASP45D, CYS329B, CYS329D, GLN126B, GLN126D, GLN140B, GLN140D, GLN141B, GLN141D, GLN297B, GLN297D, GLN305B, GLN305D, GLN320B, GLN320D, GLN327B, GLN327D, GLU117B, GLU331B, GLU331D, GLU394B, GLU79B, GLU79D, GLY125B, GLY125D, GLY129B, GLY129D, GLY137B, GLY137D, GLY139B, GLY139D, GLY299B, GLY299D, GLY321B, GLY321D, GLY333B, GLY333D, GLY48B, GLY48D, GLY78B, GLY78D, HIS127B, HIS127D, HIS300B, HIS300D, HIS330B, HIS330D, HIS49B, HIS49D, LEU121B, LEU121D, LEU124B, LEU124D, LEU128B, LEU128D, LEU135B, LEU135D, LEU136B, LEU136D, LEU302B, LEU302D, LEU304B, LEU304D, LEU77B, LEU77D, LEU84B, LEU84D, LEU86B, LEU86D, LYS75B, LYS81B, LYS81D, MET298B, MET298D, MET328B, MET328D, PHE332B, PHE332D, PHE5B, PHE5D, PRO359B, PRO359D, PRO8B, PRO8D, SER134B, SER134D, SER303B, SER303D, SER47B, SER47D, THR11B, THR11D, THR301B, THR301D, THR318B, THR318D, THR6B, THR6D, THR76B, THR76D, THR7B, THR7D, THR85B, THR85D, TRP295B, TRP295D, TRP317B, TRP317D, TYR80B, TYR80D, VAL113B, VAL113D, VAL130B, VAL130D, VAL132B, VAL132D, VAL323B, VAL323D, VAL325B, VAL325D, VAL83B, VAL83D, VAL9B, VAL9D
• C-D: ALA265C, ALA265D, ALA276C, ALA276D, ALA292C, ALA292D, ARG272C, ARG272D, ARG280C, ARG280D, ARG296C, ARG296D, ASN243C, ASN243D, ASP294C, ASP294D, GLN267C, GLN267D, GLN297C, GLN297D, GLN305C, GLN305D, GLU266C, GLU266D, GLU273C, GLU273D, GLU277C, GLU277D, GLY264C, GLY264D, GLY268C, GLY268D, GLY271C, GLY271D, GLY299C, GLY299D, HIS300C, HIS300D, ILE246C, ILE246D, ILE291C, ILE291D, LEU242C, LEU242D, LEU302C, LEU302D, LEU304C, LEU304D, MET275C, MET275D, MET298C, MET298D, PHE269C, PHE269D, PHE278C, PHE278D, SER270C, SER270D, SER303C, SER303D, SER306C, SER306D, THR293C, THR293D, THR301C, THR301D, TRP295C, TRP295D, VAL274C, VAL274D