3MPU

crystal structure of the c47a/a241c disulfide-linked e. coli aspartate transcarbamoylase holoenzyme

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 79
  • Norm. En. per Res.: -4.2555
• 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	-50.8667	-50.8689	-226.861	-328.5967	79	8	4	8753	5	36	29
A-C	0.0	0.0	869.586	869.586	21	13	1	1642	0	4	2
A-E	0.0	-11.7047	-47.2844	-58.9891	58	1	1	2439	0	19	23
C-D	-60.0498	-49.1032	-227.029	-336.182	79	8	5	8701	8	37	31
E-F	-49.5678	-64.5949	-216.716	-330.8787	82	11	4	8582	6	38	29

Interface residues

• A-B: ALA111A, ALA112A, ALA115A, ALA118B, ALA131B, ALA135B, ALA89A, ARG102B, ARG113A, ARG128B, ARG130B, ARG167A, ARG234A, ASN111B, ASN113B, ASN126A, ASN132A, ASN13A, ASP129A, ASP14A, ASP200A, ASP203A, ASP236A, ASP90A, CYS109B, CYS114B, CYS138B, CYS141B, GLN108A, GLN133A, GLN174A, GLN196A, GLU109A, GLU117A, GLU119B, GLU142B, GLU144B, GLU204A, GLU233A, GLU86A, GLY110A, GLY130A, HIS106A, HIS117B, HIS170A, ILE10A, ILE115B, ILE12A, ILE198A, ILE92A, LEU114A, LEU199A, LEU81A, LEU88A, LYS137B, LYS139B, LYS143B, LYS164A, MET104A, MET201A, PHE118A, PHE145B, PRO107A, PRO120B, PRO135A, PRO195A, SER112B, SER116B, SER11A, SER122B, SER124B, SER131A, THR116A, THR87A, THR91A, TYR140B, TYR165A, TYR197A, VAL121B
• A-C: ALA191A, ALA191C, ASN242A, ASN242C, ASP236A, ASP236C, CYS241A, CYS241C, GLU239A, GLU239C, LEU235C, LYS244A, LYS244C, PRO237A, PRO237C, SER238A, SER238C, TYR240A, TYR240C, VAL243A, VAL243C
• A-E: ALA220E, ALA257E, ALA259A, ALA259E, ALA25E, ALA28A, ALA28E, ALA32A, ALA32E, ARG151A, ARG151E, ARG17E, ASN154A, ASN154E, ASN21E, ASN256A, ASN256E, ASN260A, ASN260E, ASN33A, ASN33E, ASP153A, ASP153E, ASP180E, ASP223A, ASP223E, GLN146A, GLN146E, GLN149A, GLN149E, GLU147A, GLU147E, GLY150A, GLY150E, GLY181E, HIS156E, HIS255A, HIS255E, HIS282A, ILE145A, LEU152A, LEU152E, LEU155A, LEU155E, LEU24E, LEU310E, LYS258A, LYS258E, LYS262A, LYS29E, LYS31A, MET261A, PHE179E, PRO281A, THR144A, THR148A, THR148E, TRP284A
• C-D: ALA111C, ALA112C, ALA115C, ALA118D, ALA135D, ALA89C, ARG102D, ARG113C, ARG128D, ARG130D, ARG234C, ASN111D, ASN113D, ASN126C, ASN132C, ASN13C, ASP129C, ASP14C, ASP200C, ASP203C, ASP236C, ASP90C, CYS109D, CYS114D, CYS138D, CYS141D, GLN108C, GLN133C, GLN174C, GLN196C, GLU109C, GLU117C, GLU119D, GLU142D, GLU144D, GLU204C, GLU233C, GLU50C, GLU86C, GLY110C, GLY130C, HIS106C, HIS117D, HIS170C, ILE10C, ILE115D, ILE12C, ILE198C, ILE92C, LEU114C, LEU136D, LEU199C, LEU81C, LEU88C, LYS137D, LYS139D, LYS143D, LYS164C, MET104C, MET201C, PHE118C, PHE145D, PRO107C, PRO120D, PRO135C, PRO195C, SER112D, SER116D, SER11C, SER122D, SER124D, SER131C, THR116C, THR87C, THR91C, TYR140D, TYR165C, TYR197C, VAL121D
• E-F: ALA111E, ALA112E, ALA115E, ALA118F, ALA131F, ALA135F, ALA89E, ARG102F, ARG113E, ARG128F, ARG130F, ARG167E, ARG234E, ASN111F, ASN113F, ASN126E, ASN132E, ASN13E, ASP129E, ASP14E, ASP200E, ASP203E, ASP236E, ASP90E, CYS109F, CYS114F, CYS138F, CYS141F, GLN108E, GLN133E, GLN174E, GLN196E, GLU109E, GLU117E, GLU119F, GLU142F, GLU144F, GLU204E, GLU233E, GLU50E, GLU86E, GLY110E, GLY130E, HIS106E, HIS117F, HIS170E, ILE10E, ILE115F, ILE12E, ILE198E, ILE92E, LEU114E, LEU199E, LEU81E, LEU88E, LYS129F, LYS137F, LYS139F, LYS143F, LYS164E, MET104E, MET201E, PHE118E, PHE145F, PRO107E, PRO120F, PRO135E, PRO195E, SER112F, SER116F, SER11E, SER122F, SER124F, SER131E, SER171E, THR116E, THR87E, THR91E, TYR140F, TYR165E, TYR197E, VAL121F