1NZY

4-chlorobenzoyl coenzyme a dehalogenase from pseudomonas sp. strain cbs-3

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 195
  • Norm. En. per Res.: -4.4664
• 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	-98.8666	-47.5189	-628.002	-774.3876	184	17	23	26267	4	47	49
A-C	-117.5192	-45.1305	-708.303	-870.9527	195	24	24	28608	3	53	55
B-C	-138.4616	-46.5399	-656.562	-841.5636	193	29	25	28101	3	58	54

Interface residues

• A-B: ALA105B, ALA121A, ALA121B, ALA125B, ALA136A, ALA147A, ALA153A, ALA153B, ALA161A, ALA176B, ALA205B, ALA213B, ALA219A, ALA219B, ALA238B, ALA258B, ALA267B, ALA26A, ALA62A, ALA76A, ALA85A, ALA86A, ARG154A, ARG154B, ARG159A, ARG160A, ARG160B, ARG169A, ARG184B, ARG216B, ARG24A, ARG251B, ARG257B, ARG260B, ARG67A, ARG79A, ARG83A, ARG98A, ASN144A, ASN168A, ASN235B, ASP123B, ASP145A, ASP178A, ASP178B, ASP254B, ASP80A, CYS135A, CYS228B, CYS248B, GLN210B, GLN223B, GLN234B, GLN262B, GLN91A, GLU163A, GLU174B, GLU175A, GLU175B, GLU201B, GLU215B, GLU226B, GLU227B, GLU230B, GLU232B, GLU264B, GLU68A, GLY117B, GLY141A, GLY143A, GLY157A, GLY157B, GLY180B, GLY220B, GLY255B, GLY74A, HIS138A, HIS208B, HIS218A, HIS218B, HIS23A, HIS242B, HIS244B, HIS81A, HIS90A, HIS94A, ILE107B, ILE118B, ILE126B, ILE140A, ILE142A, ILE155A, ILE155B, ILE233B, ILE237B, ILE69A, ILE84A, ILE93A, ILE96A, ILE96B, ILE97A, ILE97B, LEU104B, LEU116B, LEU120A, LEU120B, LEU152A, LEU152B, LEU164A, LEU166A, LEU171A, LEU181B, LEU202B, LEU209B, LEU249B, LEU253B, LEU265B, LEU66A, LEU71A, LEU87A, LYS177B, LYS214B, LYS95A, MET124B, MET158A, MET162A, MET165A, MET212B, MET222A, MET222B, MET246B, PHE133B, PHE217B, PHE231B, PHE245B, PHE252B, PHE64A, PHE82A, PRO102B, PRO206B, PRO224B, PRO243B, PRO247B, PRO261B, PRO70A, SER119B, SER122B, SER149A, SER151A, SER151B, SER183B, SER239B, THR139A, THR146A, THR148A, THR167A, THR170A, THR207B, THR229B, THR241B, THR250B, TRP137A, TRP179A, TRP179B, TRP221A, TRP221B, TRP88A, TRP89A, TYR150A, TYR150B, TYR65A, VAL103B, VAL134A, VAL156A, VAL156B, VAL182B, VAL198B, VAL211B, VAL225B, VAL236B, VAL240B, VAL263B, VAL75A, VAL78A
• A-C: ALA105A, ALA112C, ALA121A, ALA121C, ALA125A, ALA136C, ALA147C, ALA153A, ALA153C, ALA161C, ALA176A, ALA205A, ALA213A, ALA219A, ALA219C, ALA238A, ALA258A, ALA267A, ALA26C, ALA62C, ALA76C, ALA85C, ALA86C, ARG101A, ARG154A, ARG154C, ARG159C, ARG160A, ARG160C, ARG169C, ARG184A, ARG216A, ARG24C, ARG251A, ARG257A, ARG260A, ARG67C, ARG79C, ARG83C, ARG98C, ASN144C, ASN168C, ASN235A, ASP123A, ASP145C, ASP178A, ASP178C, ASP254A, ASP259A, ASP80C, CYS135C, CYS228A, CYS248A, GLN210A, GLN223A, GLN234A, GLN262A, GLN91C, GLU163C, GLU174A, GLU175A, GLU175C, GLU201A, GLU215A, GLU226A, GLU227A, GLU230A, GLU232A, GLU264A, GLU68C, GLY113C, GLY117A, GLY141C, GLY143C, GLY157A, GLY157C, GLY180A, GLY220A, GLY255A, GLY74C, HIS138C, HIS208A, HIS218A, HIS218C, HIS23C, HIS242A, HIS244A, HIS256A, HIS81C, HIS90C, HIS94C, ILE107A, ILE118A, ILE126A, ILE140C, ILE142C, ILE155A, ILE155C, ILE233A, ILE237A, ILE69C, ILE84C, ILE93C, ILE96A, ILE96C, ILE97A, ILE97C, LEU104A, LEU116A, LEU116C, LEU120A, LEU120C, LEU152A, LEU152C, LEU164C, LEU166C, LEU171C, LEU181A, LEU202A, LEU209A, LEU249A, LEU253A, LEU265A, LEU66C, LEU71C, LEU87C, LYS132C, LYS177A, LYS214A, LYS95C, MET124A, MET158C, MET162C, MET165C, MET212A, MET222A, MET222C, MET246A, PHE133A, PHE133C, PHE217A, PHE231A, PHE245A, PHE252A, PHE64C, PHE82C, PRO102A, PRO206A, PRO224A, PRO243A, PRO247A, PRO261A, PRO266A, PRO70C, SER119A, SER122A, SER149C, SER151A, SER151C, SER183A, SER239A, THR139C, THR146C, THR148C, THR167C, THR170C, THR207A, THR229A, THR241A, THR250A, TRP137C, TRP179A, TRP179C, TRP221A, TRP221C, TRP88C, TRP89C, TYR150A, TYR150C, TYR172C, TYR65C, VAL103A, VAL110C, VAL134C, VAL156A, VAL156C, VAL182A, VAL198A, VAL211A, VAL225A, VAL236A, VAL240A, VAL263A, VAL75C, VAL78C
• B-C: ALA105C, ALA112B, ALA121B, ALA121C, ALA125C, ALA136B, ALA147B, ALA153B, ALA153C, ALA161B, ALA176C, ALA205C, ALA213C, ALA219B, ALA219C, ALA238C, ALA258C, ALA267C, ALA26B, ALA62B, ALA76B, ALA85B, ALA86B, ARG101C, ARG154B, ARG154C, ARG159B, ARG160B, ARG160C, ARG169B, ARG184C, ARG216C, ARG24B, ARG251C, ARG260C, ARG67B, ARG79B, ARG83B, ARG98B, ASN144B, ASN235C, ASP123C, ASP145B, ASP168B, ASP178B, ASP178C, ASP254C, ASP259C, ASP80B, CYS135B, CYS228C, CYS248C, GLN210C, GLN223C, GLN234C, GLN262C, GLN91B, GLU163B, GLU174C, GLU175B, GLU175C, GLU201C, GLU215C, GLU226C, GLU227C, GLU230C, GLU232C, GLU264C, GLU68B, GLY117C, GLY141B, GLY143B, GLY157B, GLY157C, GLY180C, GLY220C, GLY255C, GLY74B, HIS138B, HIS208C, HIS218B, HIS218C, HIS23B, HIS242C, HIS244C, HIS256C, HIS81B, HIS90B, HIS94B, ILE107C, ILE118C, ILE126C, ILE140B, ILE142B, ILE155B, ILE155C, ILE233C, ILE237C, ILE69B, ILE84B, ILE93B, ILE96B, ILE96C, ILE97B, ILE97C, LEU104C, LEU116B, LEU116C, LEU120B, LEU120C, LEU152B, LEU152C, LEU164B, LEU166B, LEU171B, LEU181C, LEU202C, LEU209C, LEU249C, LEU253C, LEU265C, LEU66B, LEU71B, LEU87B, LYS132B, LYS177C, LYS214C, LYS95B, MET124C, MET158B, MET162B, MET165B, MET212C, MET222B, MET222C, MET246C, PHE133B, PHE133C, PHE217C, PHE231C, PHE245C, PHE252C, PHE64B, PHE82B, PRO102C, PRO206C, PRO224C, PRO243C, PRO247C, PRO261C, PRO266C, PRO70B, SER119C, SER122C, SER149B, SER151B, SER151C, SER183C, SER239C, THR139B, THR146B, THR148B, THR167B, THR170B, THR207C, THR229C, THR241C, THR250C, TRP137B, TRP179B, TRP179C, TRP221B, TRP221C, TRP88B, TRP89B, TYR150B, TYR150C, TYR172B, TYR65B, VAL103C, VAL110B, VAL134B, VAL156B, VAL156C, VAL182C, VAL198C, VAL211C, VAL225C, VAL236C, VAL240C, VAL263C, VAL75B, VAL78B