2AHV

crystal structure of acyl-coa transferase from e. coli o157:h7 (ydif)- thioester complex with coa- 1

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 80
  • Norm. En. per Res.: -4.5101
• 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	-35.3935	-135.605	-183.017	-354.0154	81	3	5	7742	10	32	24
A-C	0.0	0.0	-0.8888	-0.8888	10	0	0	213	0	6	8
A-D	-143.1972	-180.7134	-713.098	-1037.0087	264	27	10	27989	13	81	72
B-C	-152.7976	-190.7591	-706.551	-1050.1077	258	23	10	27773	14	79	71
B-D	0.0	0.0	-0.7546	-0.7546	10	0	0	202	0	6	7
C-D	-38.8828	-136.4948	-185.43	-360.8076	80	3	4	7684	10	31	24

Interface residues

• A-B: ALA233A, ALA233B, ALA263A, ALA263B, ARG12A, ARG12B, ARG267A, ARG267B, ASN266A, ASN266B, ASN352A, ASN352B, ASP192A, ASP192B, ASP201A, ASP201B, ASP255A, ASP255B, ASP272A, ASP272B, ASP276A, ASP276B, ASP326A, CYS191A, CYS191B, GLN227A, GLN227B, GLN256B, GLN258A, GLN258B, GLU194A, GLU200A, GLU200B, GLY262A, GLY262B, HIS236A, HIS236B, ILE269A, ILE269B, LEU235A, LEU235B, LEU275A, LEU275B, LYS228A, LYS228B, LYS231A, LYS231B, LYS232A, LYS232B, MET229A, MET229B, PHE268A, PHE268B, PHE273A, PHE273B, PRO254A, PRO254B, PRO264A, PRO264B, SER193A, SER193B, SER239A, SER239B, SER270A, SER270B, THR189A, THR189B, THR190A, THR190B, THR198A, THR198B, THR234A, THR234B, THR274A, THR274B, VAL230A, VAL230B, VAL252A, VAL252B, VAL265A, VAL265B
• A-C: ALA233A, ALA233C, ARG267A, HIS236C, LYS231A, LYS231C, LYS232A, LYS232C, THR234A, THR234C
• A-D: ALA127A, ALA127D, ALA128A, ALA128D, ALA129A, ALA129D, ALA130A, ALA130D, ALA178A, ALA178D, ALA197A, ALA197D, ALA212A, ALA212D, ALA214A, ALA214D, ALA233A, ALA233D, ALA303A, ALA303D, ALA325A, ALA325D, ALA355A, ALA355D, ALA529A, ARG126A, ARG126D, ARG12A, ARG241A, ARG241D, ARG267A, ARG267D, ARG300D, ARG354A, ARG354D, ARG8A, ARG8D, ASN10A, ASN10D, ASN170A, ASN170D, ASN217A, ASN217D, ASN218A, ASN218D, ASN352A, ASN352D, ASP138A, ASP138D, ASP169A, ASP169D, ASP192A, ASP192D, ASP201A, ASP201D, ASP272A, ASP272D, ASP326A, ASP326D, ASP327A, ASP327D, ASP358A, ASP358D, ASP364A, ASP364D, ASP372A, ASP372D, GLN123A, GLN123D, GLN132A, GLN132D, GLN213A, GLN213D, GLN258A, GLN258D, GLN362A, GLN362D, GLU167A, GLU167D, GLU172A, GLU172D, GLU194A, GLU194D, GLU200A, GLU200D, GLU202A, GLU202D, GLU528A, GLU528D, GLY119A, GLY119D, GLY11A, GLY11D, GLY134A, GLY134D, GLY195A, GLY195D, GLY219A, GLY219D, GLY244A, GLY244D, GLY271A, GLY271D, GLY302A, GLY302D, GLY305A, GLY305D, GLY335A, GLY335D, GLY338A, GLY338D, GLY339D, GLY368A, GLY368D, GLY369A, GLY369D, GLY370A, GLY370D, HIS131A, HIS131D, HIS216A, HIS216D, HIS236A, HIS236D, HIS367A, HIS367D, ILE135A, ILE135D, ILE136A, ILE136D, ILE139A, ILE139D, ILE242A, ILE242D, ILE269A, ILE269D, ILE329A, ILE329D, ILE337A, ILE337D, ILE356A, ILE356D, ILE9A, ILE9D, LEU125A, LEU125D, LEU165A, LEU165D, LEU174A, LEU174D, LEU209A, LEU209D, LEU235A, LEU235D, LEU246A, LEU246D, LEU330A, LEU330D, LEU357A, LEU357D, LEU371A, LEU371D, LYS164A, LYS164D, LYS171A, LYS171D, LYS177A, LYS177D, LYS231A, LYS231D, LYS232A, LYS232D, LYS238A, LYS238D, LYS301A, LYS301D, LYS410A, LYS410D, LYS5A, MET204A, MET204D, PHE168A, PHE168D, PHE199A, PHE199D, PHE268A, PHE268D, PHE273A, PHE273D, PHE328A, PHE328D, PHE363A, PHE363D, PHE365A, PHE365D, PRO133A, PRO133D, PRO237A, PRO237D, PRO243A, PRO243D, PRO336A, PRO336D, PRO7A, PRO7D, SER137A, SER137D, SER193A, SER193D, SER239A, SER239D, SER270A, SER270D, SER361A, SER361D, THR124A, THR124D, THR189A, THR189D, THR198A, THR198D, THR234A, THR234D, THR274A, THR274D, THR331A, THR331D, THR353A, THR353D, THR360A, THR360D, THR408A, THR408D, TYR173A, TYR173D, TYR175A, TYR175D, TYR176A, TYR176D, TYR196A, TYR196D, TYR205A, TYR205D, TYR245A, TYR245D, TYR366A, TYR366D, VAL120A, VAL120D, VAL166A, VAL166D, VAL203A, VAL203D, VAL210A, VAL210D, VAL230D, VAL240A, VAL240D, VAL304A, VAL304D, VAL332A, VAL332D, VAL351A, VAL351D
• B-C: ALA127B, ALA127C, ALA128B, ALA128C, ALA129B, ALA129C, ALA130B, ALA130C, ALA178B, ALA178C, ALA197B, ALA197C, ALA212B, ALA212C, ALA214B, ALA214C, ALA233B, ALA233C, ALA303B, ALA303C, ALA325B, ALA355B, ALA355C, ALA529B, ALA529C, ARG126B, ARG126C, ARG241B, ARG241C, ARG267B, ARG267C, ARG354B, ARG354C, ARG8B, ARG8C, ASN10B, ASN10C, ASN170B, ASN170C, ASN217B, ASN217C, ASN218B, ASN218C, ASN352B, ASN352C, ASP138B, ASP138C, ASP169B, ASP169C, ASP192B, ASP192C, ASP201B, ASP201C, ASP272B, ASP272C, ASP326B, ASP326C, ASP327B, ASP327C, ASP358B, ASP358C, ASP364B, ASP364C, ASP372B, ASP372C, GLN123B, GLN123C, GLN132B, GLN132C, GLN213B, GLN213C, GLN258B, GLN258C, GLN362B, GLN362C, GLU167B, GLU167C, GLU172B, GLU172C, GLU194B, GLU194C, GLU200B, GLU200C, GLU202B, GLU202C, GLU528B, GLU528C, GLY119B, GLY119C, GLY11B, GLY11C, GLY134B, GLY134C, GLY195B, GLY195C, GLY219B, GLY219C, GLY244B, GLY244C, GLY271B, GLY271C, GLY302B, GLY302C, GLY305B, GLY305C, GLY335B, GLY335C, GLY338B, GLY338C, GLY368B, GLY368C, GLY369B, GLY369C, GLY370B, GLY370C, HIS131B, HIS131C, HIS216B, HIS216C, HIS236B, HIS236C, HIS367B, HIS367C, ILE135B, ILE135C, ILE136B, ILE136C, ILE139B, ILE139C, ILE242B, ILE242C, ILE269B, ILE269C, ILE329B, ILE329C, ILE337B, ILE337C, ILE356B, ILE356C, LEU125B, LEU125C, LEU165B, LEU165C, LEU174B, LEU174C, LEU209B, LEU209C, LEU235B, LEU235C, LEU246B, LEU246C, LEU330B, LEU330C, LEU357B, LEU357C, LEU371B, LEU371C, LYS164B, LYS164C, LYS171B, LYS171C, LYS177B, LYS177C, LYS231B, LYS231C, LYS232B, LYS232C, LYS238B, LYS238C, LYS301B, LYS301C, LYS410B, LYS410C, MET204B, MET204C, PHE168B, PHE168C, PHE199B, PHE199C, PHE268B, PHE268C, PHE273B, PHE273C, PHE328B, PHE328C, PHE363B, PHE363C, PHE365B, PHE365C, PRO133B, PRO133C, PRO237B, PRO237C, PRO243B, PRO243C, PRO336B, PRO336C, PRO7B, PRO7C, SER137B, SER137C, SER193B, SER193C, SER239B, SER239C, SER270B, SER270C, SER361B, SER361C, THR124B, THR124C, THR189B, THR189C, THR198B, THR198C, THR234B, THR234C, THR274B, THR274C, THR331B, THR331C, THR353B, THR353C, THR360B, THR360C, THR408B, THR408C, TYR173B, TYR173C, TYR175B, TYR175C, TYR176B, TYR176C, TYR196B, TYR196C, TYR205B, TYR205C, TYR245B, TYR245C, TYR366B, TYR366C, VAL120B, VAL120C, VAL166B, VAL166C, VAL203B, VAL203C, VAL210B, VAL210C, VAL230C, VAL240B, VAL240C, VAL304B, VAL304C, VAL332B, VAL332C, VAL351B, VAL351C
• B-D: ALA233B, ALA233D, ARG267B, HIS236D, LYS231B, LYS231D, LYS232B, LYS232D, THR234B, THR234D
• C-D: ALA233C, ALA233D, ALA263C, ALA263D, ARG12C, ARG12D, ARG267C, ARG267D, ASN266C, ASN266D, ASN352C, ASN352D, ASP192C, ASP192D, ASP201C, ASP201D, ASP255C, ASP255D, ASP272C, ASP272D, ASP276C, ASP276D, CYS191C, CYS191D, GLN227C, GLN227D, GLN258C, GLN258D, GLU194C, GLU194D, GLU200C, GLU200D, GLY262C, GLY262D, HIS236C, HIS236D, ILE269C, ILE269D, LEU235C, LEU235D, LEU275C, LEU275D, LYS228C, LYS228D, LYS231C, LYS231D, LYS232C, LYS232D, MET229C, MET229D, PHE268C, PHE268D, PHE273C, PHE273D, PRO254C, PRO254D, PRO264C, PRO264D, SER193C, SER193D, SER239C, SER239D, SER270C, SER270D, THR189C, THR189D, THR190C, THR190D, THR198C, THR198D, THR234C, THR234D, THR274C, THR274D, VAL230C, VAL230D, VAL252C, VAL252D, VAL265C, VAL265D