3R0O

crystal structure of carnitinyl-coa hydratase from mycobacterium avium

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 136
  • Norm. En. per Res.: -4.7379
• 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	-81.319	-146.9173	-420.289	-648.5254	137	18	17	17234	11	36	36
A-C	-80.1074	-146.6908	-417.559	-644.3572	136	15	17	17039	11	35	37
B-C	-82.2773	-136.7524	-424.917	-643.9467	139	18	17	17328	10	34	36

Interface residues

• A-B: ALA108A, ALA122A, ALA124A, ALA147B, ALA164B, ALA179A, ALA200A, ALA202A, ALA209A, ALA215A, ALA220A, ALA223A, ALA230A, ALA251B, ALA268B, ALA58A, ARG143B, ARG154A, ARG154B, ARG161B, ARG181A, ARG181B, ARG204A, ARG218A, ARG237B, ARG240B, ARG269B, ASN186A, ASN208A, ASN20A, ASP103A, ASP126A, ASP178A, ASP224A, ASP225A, ASP250B, CYS207A, GLN158A, GLN214A, GLN263B, GLU120A, GLU140B, GLU157A, GLU157B, GLU166B, GLU172B, GLU187A, GLU203A, GLU231A, GLU236B, GLU241B, GLU244B, GLU249B, GLU253B, GLU55A, GLY144B, GLY148B, GLY150B, GLY151B, GLY171B, GLY183A, GLY222A, GLY226A, GLY229A, GLY254B, ILE107A, ILE129A, ILE146B, ILE155A, ILE155B, ILE185A, ILE205A, ILE227A, ILE228A, ILE239B, LEU121A, LEU123A, LEU127A, LEU138B, LEU145B, LEU159A, LEU159B, LEU165B, LEU167B, LEU169B, LEU180A, LEU184A, LEU201A, LEU211A, LEU245B, LYS104A, LYS142B, LYS162B, LYS217A, LYS234A, LYS234B, LYS247B, LYS267B, PHE101A, PHE153B, PHE242B, PRO105A, PRO139B, PRO160A, PRO160B, PRO173B, PRO210A, PRO233B, PRO255B, PRO264B, PRO54A, SER119A, SER125A, SER177A, SER212A, SER216A, SER248B, THR106A, THR170B, THR206A, THR238B, TRP182A, TRP182B, TRP235B, TRP266B, TRP57A, TYR221A, TYR97A, VAL128A, VAL141B, VAL152B, VAL156B, VAL163B, VAL168B, VAL213A, VAL219A, VAL265B
• A-C: ALA108C, ALA122C, ALA124C, ALA147A, ALA164A, ALA179C, ALA200C, ALA202C, ALA209C, ALA215C, ALA220C, ALA223C, ALA230C, ALA251A, ALA268A, ALA58C, ARG143A, ARG154A, ARG154C, ARG161A, ARG181A, ARG181C, ARG204C, ARG218C, ARG237A, ARG240A, ARG269A, ASN186C, ASN208C, ASN20C, ASP103C, ASP126C, ASP178C, ASP224C, ASP225C, ASP250A, ASP53C, CYS207C, GLN158C, GLN214C, GLN263A, GLU120C, GLU140A, GLU157A, GLU157C, GLU166A, GLU172A, GLU187C, GLU203C, GLU231C, GLU236A, GLU241A, GLU244A, GLU249A, GLU253A, GLU55C, GLY144A, GLY148A, GLY150A, GLY151A, GLY171A, GLY183C, GLY222C, GLY229C, GLY254A, ILE107C, ILE129C, ILE146A, ILE155A, ILE155C, ILE185C, ILE205C, ILE227C, ILE228C, ILE239A, LEU121C, LEU123C, LEU127C, LEU138A, LEU145A, LEU159A, LEU159C, LEU165A, LEU167A, LEU169A, LEU180C, LEU184C, LEU201C, LEU211C, LEU245A, LYS104C, LYS142A, LYS162A, LYS217C, LYS234A, LYS234C, LYS247A, LYS267A, PHE101C, PHE153A, PHE242A, PRO105C, PRO139A, PRO160A, PRO160C, PRO210C, PRO233A, PRO255A, PRO264A, PRO54C, SER119C, SER125C, SER212C, SER216C, SER248A, THR106C, THR170A, THR206C, THR238A, TRP182A, TRP182C, TRP235A, TRP266A, TRP57C, TYR221C, TYR97C, VAL128C, VAL141A, VAL152A, VAL156A, VAL163A, VAL168A, VAL213C, VAL219C, VAL265A, VAL56C
• B-C: ALA108B, ALA122B, ALA124B, ALA147C, ALA164C, ALA179B, ALA200B, ALA202B, ALA209B, ALA215B, ALA220B, ALA223B, ALA230B, ALA251C, ALA268C, ALA58B, ARG143C, ARG154B, ARG154C, ARG161C, ARG181B, ARG181C, ARG204B, ARG218B, ARG237C, ARG240C, ARG269C, ASN186B, ASN208B, ASN20B, ASP103B, ASP126B, ASP178B, ASP224B, ASP225B, ASP250C, ASP53B, CYS207B, GLN158B, GLN214B, GLN263C, GLU120B, GLU140C, GLU157B, GLU157C, GLU166C, GLU172C, GLU187B, GLU203B, GLU231B, GLU236C, GLU241C, GLU244C, GLU249C, GLU253C, GLU55B, GLY144C, GLY148C, GLY150C, GLY151C, GLY171C, GLY183B, GLY222B, GLY229B, GLY254C, ILE107B, ILE129B, ILE146C, ILE155B, ILE155C, ILE185B, ILE205B, ILE227B, ILE228B, ILE239C, LEU121B, LEU123B, LEU127B, LEU138C, LEU145C, LEU159B, LEU159C, LEU165C, LEU167C, LEU169C, LEU180B, LEU184B, LEU201B, LEU211B, LEU245C, LYS104B, LYS142C, LYS162C, LYS217B, LYS234B, LYS234C, LYS247C, LYS267C, PHE101B, PHE153B, PHE153C, PHE242C, PRO105B, PRO139C, PRO160B, PRO160C, PRO210B, PRO233C, PRO255C, PRO264C, PRO54B, SER119B, SER125B, SER177B, SER212B, SER216B, SER248C, THR106B, THR170C, THR206B, THR238C, TRP182B, TRP182C, TRP235C, TRP266C, TRP57B, TYR221B, TYR97B, VAL128B, VAL141C, VAL152C, VAL156B, VAL156C, VAL163C, VAL168C, VAL213B, VAL219B, VAL265C, VAL56B