3TW6

structure of rhizobium etli pyruvate carboxylase t882a with the allosteric activator, acetyl coenzyme-a

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 191
  • Norm. En. per Res.: -2.0419
• Hub Node: A(2)

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	-46.2552	6.1799	-316.334	-356.4093	189	16	15	14662	4	54	60
A-D	0.0	23.2588	-75.7027	-52.4439	44	0	0	3522	1	25	28
C-D	-67.0399	22.2814	-345.24	-389.9985	191	18	15	15428	2	57	67

Interface residues

• A-B: ALA501A, ALA501B, ALA502A, ALA502B, ALA727A, ALA727B, ALA728A, ALA728B, ALA755A, ALA755B, ALA756A, ALA756B, ALA757A, ALA757B, ALA761A, ALA761B, ALA773A, ALA773B, ALA776A, ALA776B, ALA792A, ALA792B, ALA805A, ALA805B, ALA816A, ALA816B, ALA822A, ALA822B, ALA832A, ALA832B, ALA865A, ALA865B, ARG503A, ARG503B, ARG692A, ARG808A, ARG808B, ARG809A, ARG809B, ARG818A, ARG818B, ARG853B, ARG860A, ARG860B, ASN500A, ASN500B, ASN689A, ASN689B, ASN780A, ASN780B, ASN819A, ASN819B, ASP686A, ASP686B, ASP750A, ASP750B, ASP775A, ASP775B, ASP827A, ASP827B, CYS785A, CYS785B, GLN783A, GLN783B, GLN820A, GLN820B, GLN863A, GLN863B, GLN866A, GLN866B, GLU764A, GLU764B, GLU791A, GLU791B, GLU815A, GLU815B, GLU825A, GLU825B, GLU834A, GLU834B, GLU858A, GLU858B, GLY722A, GLY753A, GLY753B, GLY779A, GLY779B, GLY787A, GLY787B, GLY795A, GLY795B, GLY830A, GLY830B, HIS838A, HIS838B, HIS862A, HIS862B, ILE754A, ILE754B, ILE789A, ILE789B, ILE807A, ILE807B, LEU498A, LEU498B, LEU554A, LEU554B, LEU555A, LEU555B, LEU688A, LEU688B, LEU723A, LEU723B, LEU724B, LEU760A, LEU760B, LEU777A, LEU777B, LEU786A, LEU786B, LEU793A, LEU793B, LEU828A, LEU828B, LEU837A, LEU837B, LEU857B, LYS725A, LYS725B, LYS730A, LYS730B, LYS829A, LYS829B, LYS849B, MET774A, MET774B, PHE812A, PHE812B, PHE845A, PHE845B, PRO495B, PRO497B, PRO726A, PRO726B, PRO784A, PRO784B, PRO804A, PRO804B, PRO831A, PRO831B, SER752A, SER752B, SER778A, SER778B, SER782A, SER782B, SER788A, SER788B, SER794A, SER794B, SER796A, SER796B, SER811A, SER811B, SER826A, SER826B, SER833A, SER833B, THR751A, THR751B, THR758A, THR758B, THR859A, THR859B, TRP861A, TRP861B, TYR813B, TYR821A, TYR821B, TYR836A, TYR836B, VAL505A, VAL759A, VAL759B, VAL790A, VAL790B, VAL817B, VAL835A, VAL835B
• A-D: ARG539A, ARG539D, ASN536A, ASN536D, ASN613A, ASN613D, ASP516A, ASP516D, ASP523A, ASP523D, GLN520A, GLN520D, GLU532A, GLU532D, GLU537A, GLU537D, GLY517A, GLY517D, GLY526A, GLY526D, LEU521A, LEU521D, LEU522A, LEU522D, LEU525A, LEU525D, LEU541D, LYS515A, LYS515D, LYS519A, LYS519D, LYS528A, LYS529A, LYS529D, LYS538A, LYS538D, PHE530A, PHE530D, THR518A, THR518D, THR524A, THR524D, TRP533A, TRP533D
• C-D: ALA501D, ALA502C, ALA502D, ALA727C, ALA727D, ALA728C, ALA728D, ALA755C, ALA755D, ALA756C, ALA756D, ALA757C, ALA757D, ALA761C, ALA761D, ALA773C, ALA773D, ALA776C, ALA776D, ALA792C, ALA792D, ALA805C, ALA805D, ALA816C, ALA816D, ALA822C, ALA822D, ALA832C, ALA832D, ALA865C, ALA865D, ARG503C, ARG503D, ARG808C, ARG808D, ARG809C, ARG809D, ARG818C, ARG818D, ARG853C, ARG853D, ARG860C, ARG860D, ASN500D, ASN689C, ASN689D, ASN780C, ASN780D, ASN819C, ASN819D, ASP686C, ASP686D, ASP750C, ASP750D, ASP775C, ASP775D, ASP827C, ASP827D, CYS785C, CYS785D, GLN783C, GLN783D, GLN820C, GLN863C, GLN863D, GLN866C, GLN866D, GLU764C, GLU764D, GLU791C, GLU791D, GLU815C, GLU815D, GLU825C, GLU825D, GLU834C, GLU834D, GLU858C, GLU858D, GLY722C, GLY753C, GLY753D, GLY779C, GLY779D, GLY787C, GLY787D, GLY795C, GLY795D, GLY830C, GLY830D, GLY856C, HIS838C, HIS838D, HIS862C, HIS862D, ILE754C, ILE754D, ILE789C, ILE789D, ILE807C, ILE807D, ILE810D, LEU498C, LEU498D, LEU554C, LEU554D, LEU555C, LEU555D, LEU688C, LEU688D, LEU723C, LEU723D, LEU724C, LEU724D, LEU760C, LEU760D, LEU777C, LEU777D, LEU786C, LEU786D, LEU793C, LEU793D, LEU828C, LEU828D, LEU837C, LEU837D, LEU857C, LEU857D, LYS725C, LYS725D, LYS730C, LYS730D, LYS829C, LYS829D, LYS849C, LYS849D, MET774C, MET774D, PHE812C, PHE812D, PHE845C, PHE845D, PRO495D, PRO497C, PRO507D, PRO726C, PRO726D, PRO784C, PRO784D, PRO804C, PRO804D, PRO831C, PRO831D, SER752C, SER752D, SER778C, SER778D, SER782C, SER782D, SER788C, SER788D, SER794C, SER794D, SER796C, SER796D, SER811C, SER811D, SER826C, SER833C, SER833D, THR751C, THR751D, THR758C, THR758D, THR859C, THR859D, TRP806D, TRP861C, TRP861D, TYR813D, TYR821C, TYR836C, TYR836D, VAL505C, VAL505D, VAL759C, VAL759D, VAL790C, VAL790D, VAL835C, VAL835D