1XA4

crystal structure of caib, a type iii coa transferase in carnitine metabolism

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 432
  • Norm. En. per Res.: -5.0023
• Hub Node: A(1)

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	-292.5739	-191.6337	-1676.78	-2160.9875	432	57	46	64535	14	86	81

Interface residues

• A-B: ALA121A, ALA121B, ALA139A, ALA139B, ALA13A, ALA13B, ALA144A, ALA144B, ALA146A, ALA146B, ALA163A, ALA163B, ALA168A, ALA168B, ALA176A, ALA176B, ALA179A, ALA179B, ALA180A, ALA180B, ALA182A, ALA182B, ALA183A, ALA183B, ALA199A, ALA199B, ALA29A, ALA29B, ALA313A, ALA313B, ALA318A, ALA318B, ALA320A, ALA320B, ALA336A, ALA336B, ALA38A, ALA38B, ALA49B, ARG16A, ARG16B, ARG188A, ARG188B, ARG206A, ARG206B, ARG224A, ARG224B, ARG337A, ARG337B, ARG349A, ARG63A, ARG63B, ARG64A, ARG64B, ASN136A, ASN136B, ASN141A, ASN141B, ASN154A, ASN154B, ASN217A, ASN217B, ASN316A, ASN316B, ASN331A, ASN331B, ASN355A, ASN355B, ASN362A, ASN362B, ASN363A, ASN363B, ASN57A, ASN57B, ASP108A, ASP108B, ASP156A, ASP156B, ASP158A, ASP158B, ASP169A, ASP169B, ASP197A, ASP197B, ASP214A, ASP214B, ASP230A, ASP230B, ASP50B, ASP90A, ASP90B, CYS222A, CYS222B, CYS236A, CYS236B, CYS319A, CYS319B, CYS351A, CYS351B, GLN128A, GLN128B, GLN145A, GLN145B, GLN153A, GLN153B, GLN159A, GLN159B, GLN209A, GLN209B, GLN255A, GLN255B, GLN279A, GLN279B, GLN31A, GLN31B, GLN333A, GLN333B, GLN342A, GLN342B, GLN55A, GLN55B, GLN60A, GLN60B, GLU109A, GLU109B, GLU132A, GLU132B, GLU133A, GLU133B, GLU189A, GLU189B, GLU194A, GLU194B, GLU202A, GLU202B, GLU220A, GLU220B, GLU23A, GLU23B, GLU249A, GLU249B, GLU276A, GLU285A, GLU327A, GLU327B, GLU329A, GLU329B, GLU338A, GLU338B, GLU35A, GLU35B, GLY10A, GLY10B, GLY125A, GLY125B, GLY127A, GLY127B, GLY130A, GLY130B, GLY149A, GLY149B, GLY14A, GLY14B, GLY155A, GLY155B, GLY173A, GLY173B, GLY191A, GLY193A, GLY193B, GLY208A, GLY208B, GLY218A, GLY218B, GLY219A, GLY219B, GLY228A, GLY228B, GLY235A, GLY237A, GLY237B, GLY252A, GLY252B, GLY277A, GLY353A, GLY353B, GLY37A, GLY37B, GLY98A, GLY98B, HIS122A, HIS122B, HIS185A, HIS185B, HIS282A, HIS282B, ILE120A, ILE120B, ILE143A, ILE143B, ILE152A, ILE152B, ILE196A, ILE196B, ILE198A, ILE198B, ILE22B, ILE246A, ILE246B, ILE24A, ILE24B, ILE253A, ILE317A, ILE317B, ILE340A, ILE340B, ILE356A, ILE356B, ILE52A, ILE52B, ILE91A, ILE91B, LEU118A, LEU118B, LEU123A, LEU123B, LEU12A, LEU12B, LEU137A, LEU137B, LEU151A, LEU151B, LEU15A, LEU15B, LEU174A, LEU174B, LEU181A, LEU181B, LEU184A, LEU184B, LEU205A, LEU205B, LEU238A, LEU238B, LEU250A, LEU250B, LEU280A, LEU280B, LEU315A, LEU323A, LEU323B, LEU328A, LEU328B, LEU61A, LEU61B, LYS186A, LYS186B, LYS192A, LYS192B, LYS227A, LYS227B, LYS229A, LYS229B, LYS240A, LYS240B, LYS309A, LYS309B, LYS321A, LYS321B, LYS352A, LYS352B, LYS359A, LYS359B, LYS361A, LYS361B, LYS8A, LYS8B, LYS97A, LYS97B, PHE126A, PHE126B, PHE147A, PHE147B, PHE164A, PHE164B, PHE171A, PHE171B, PHE211A, PHE211B, PHE216A, PHE216B, PHE28A, PHE28B, PHE312A, PHE33A, PHE33B, PHE360A, PHE360B, PHE9A, PHE9B, PRO116A, PRO116B, PRO11A, PRO11B, PRO138A, PRO138B, PRO160A, PRO160B, PRO162A, PRO162B, PRO165A, PRO165B, PRO223A, PRO223B, PRO231A, PRO231B, PRO27A, PRO27B, PRO326A, PRO326B, PRO332A, PRO332B, PRO354A, PRO354B, PRO358A, PRO358B, PRO364A, PRO364B, PRO56A, PRO56B, PRO59A, PRO59B, PRO99A, PRO99B, SER124A, SER124B, SER148A, SER148B, SER172A, SER172B, SER195A, SER195B, SER226A, SER226B, SER330A, SER330B, SER339A, SER339B, SER62A, SER62B, THR107A, THR131A, THR131B, THR135A, THR135B, THR142A, THR142B, THR167A, THR167B, THR175A, THR175B, THR177A, THR177B, THR178A, THR178B, THR190A, THR190B, THR324A, THR324B, THR341A, THR341B, THR345A, THR345B, THR350A, THR350B, THR51A, THR51B, TRP112A, TRP112B, TRP343A, TRP343B, TRP36A, TRP36B, TRP48B, TYR129A, TYR129B, TYR134A, TYR134B, TYR140A, TYR140B, TYR150A, TYR150B, TYR166A, TYR166B, TYR170A, TYR170B, TYR201A, TYR201B, TYR210A, TYR210B, TYR215A, TYR215B, TYR232A, TYR232B, TYR233A, TYR233B, TYR239A, TYR239B, TYR245A, TYR245B, TYR334A, TYR334B, TYR58A, TYR58B, VAL119A, VAL119B, VAL187A, VAL187B, VAL203A, VAL203B, VAL247A, VAL247B, VAL251A, VAL251B, VAL322A, VAL322B, VAL325A, VAL325B, VAL335A, VAL335B, VAL54A, VAL54B