1SV6

crystal structure of 2-hydroxypentadienoic acid hydratase from escherichia coli

• Total interactions analyzed: 10
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 102
  • Norm. En. per Res.: -3.4929
• 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	-26.4648	-39.3835	-219.073	-284.9213	95	7	4	8557	10	24	27
A-D	-52.9008	-46.2646	-257.109	-356.2744	102	23	3	9888	10	24	27
B-E	-30.6168	-33.6589	-188.394	-252.6697	93	11	4	8130	7	24	27
C-D	-41.5693	-42.292	-204.98	-288.8413	93	12	3	8499	9	24	27
C-E	-46.0731	-45.5843	-177.309	-268.9664	87	5	3	7799	9	23	27

Interface residues

• A-B: ALA109B, ALA118A, ALA129A, ALA136B, ALA170B, ALA174A, ALA207A, ALA247B, ALA256B, ALA257B, ALA84B, ARG114A, ARG172A, ARG172B, ARG196A, ARG213A, ARG244B, ARG54B, ARG55B, ASN113A, ASN113B, ASN128A, ASN180A, ASN206A, ASN91B, ASP120A, ASP124A, ASP177A, ASP226B, ASP85B, ASP90B, CYS200A, CYS87B, GLN171B, GLN69A, GLU125A, GLU131A, GLU131B, GLU199A, GLU246B, GLU92B, GLY167B, GLY168B, GLY175A, GLY197A, GLY202A, GLY225B, GLY251B, GLY253B, GLY53B, GLY89B, HIS203A, HIS248B, ILE121A, ILE130A, ILE166B, ILE227B, ILE252B, ILE93B, LEU110B, LEU112B, LEU134B, LEU137B, LEU176A, LEU176B, LEU178A, LEU201A, LEU205A, LEU229B, LYS179A, MET86B, PHE123A, PHE245B, PHE83B, PRO135B, PRO169B, PRO173A, PRO204A, PRO66A, SER198A, SER254B, THR119A, THR122A, TRP132B, TRP210A, TYR127A, TYR164B, TYR88B, VAL111B, VAL133B, VAL165B, VAL209A, VAL255B, VAL56B, VAL57B
• A-D: ALA109A, ALA118D, ALA129D, ALA136A, ALA170A, ALA174D, ALA207D, ALA247A, ALA256A, ALA257A, ALA84A, ARG114D, ARG172A, ARG172D, ARG196D, ARG213D, ARG244A, ARG54A, ARG55A, ASN113A, ASN113D, ASN128D, ASN180D, ASN206D, ASN91A, ASP120D, ASP124D, ASP177D, ASP226A, ASP85A, ASP90A, CYS200D, CYS87A, GLN171A, GLN69D, GLU125D, GLU131A, GLU131D, GLU199D, GLU246A, GLU92A, GLY167A, GLY168A, GLY175D, GLY197D, GLY202D, GLY225A, GLY251A, GLY253A, GLY53A, GLY58A, GLY89A, HIS203D, HIS248A, ILE121D, ILE130D, ILE166A, ILE227A, ILE228A, ILE252A, ILE93A, LEU110A, LEU112A, LEU126D, LEU134A, LEU137A, LEU176A, LEU176D, LEU178D, LEU201D, LEU205D, LEU229A, LEU82A, LYS179D, MET86A, PHE123D, PHE245A, PHE83A, PRO117D, PRO135A, PRO169A, PRO173D, PRO204D, PRO66D, PRO77D, SER198D, SER254A, THR119D, THR122D, THR224A, TRP132A, TRP210D, TYR127D, TYR164A, TYR88A, VAL111A, VAL133A, VAL165A, VAL209D, VAL255A, VAL56A, VAL57A
• B-E: ALA109E, ALA118B, ALA129B, ALA136E, ALA170E, ALA174B, ALA207B, ALA247E, ALA256E, ALA257E, ALA84E, ARG114B, ARG172B, ARG172E, ARG213B, ARG244E, ARG54E, ARG55E, ASN113B, ASN113E, ASN128B, ASN180B, ASN206B, ASN91E, ASP120B, ASP124B, ASP177B, ASP226E, ASP85E, ASP90E, CYS200B, CYS87E, GLN171E, GLU125B, GLU131B, GLU131E, GLU246E, GLU92E, GLY167E, GLY168E, GLY175B, GLY202B, GLY225E, GLY251E, GLY253E, GLY53E, GLY89E, HIS203B, HIS248E, ILE121B, ILE130B, ILE166E, ILE227E, ILE252E, ILE93E, LEU110E, LEU112E, LEU126B, LEU134E, LEU176B, LEU178B, LEU201B, LEU205B, LEU229E, LEU82E, LYS179B, MET86E, PHE123B, PHE245E, PHE83E, PRO135E, PRO169E, PRO173B, PRO173E, PRO204B, PRO66B, SER198B, SER254E, THR119B, THR122B, THR224E, TRP132E, TRP210B, TYR127B, TYR164E, TYR88E, VAL111E, VAL133E, VAL165E, VAL209B, VAL255E, VAL56E, VAL57E
• C-D: ALA109D, ALA118C, ALA129C, ALA136D, ALA170D, ALA174C, ALA207C, ALA247D, ALA256D, ALA257D, ALA84D, ARG114C, ARG172C, ARG172D, ARG213C, ARG244D, ARG54D, ARG55D, ASN113C, ASN113D, ASN128C, ASN180C, ASN206C, ASN91D, ASP120C, ASP124C, ASP177C, ASP226D, ASP85D, ASP90D, CYS200C, CYS87D, GLN171D, GLU125C, GLU131C, GLU131D, GLU246D, GLU92D, GLY167D, GLY168D, GLY175C, GLY202C, GLY225D, GLY251D, GLY253D, GLY53D, GLY89D, HIS203C, HIS248D, ILE121C, ILE130C, ILE166D, ILE227D, ILE228D, ILE252D, ILE93D, LEU110D, LEU112D, LEU134D, LEU137D, LEU176C, LEU178C, LEU201C, LEU205C, LEU229D, LEU82D, LYS179C, MET86D, PHE123C, PHE245D, PHE83D, PRO135D, PRO169D, PRO173C, PRO204C, PRO66C, SER198C, SER254D, THR119C, THR122C, THR224D, TRP132D, TRP210C, TYR127C, TYR164D, TYR88D, VAL111D, VAL133D, VAL165D, VAL209C, VAL255D, VAL56D, VAL57D
• C-E: ALA109C, ALA118E, ALA129E, ALA136C, ALA170C, ALA174E, ALA207E, ALA247C, ALA256C, ALA257C, ALA84C, ARG114E, ARG172C, ARG172E, ARG213E, ARG244C, ARG54C, ARG55C, ASN113C, ASN113E, ASN128E, ASN180E, ASN206E, ASN91C, ASP120E, ASP124E, ASP177E, ASP226C, ASP85C, ASP90C, CYS200E, CYS87C, GLN171C, GLU125E, GLU131C, GLU131E, GLU246C, GLU92C, GLY167C, GLY168C, GLY175E, GLY202E, GLY225C, GLY251C, GLY253C, GLY53C, GLY89C, HIS203E, HIS248C, ILE121E, ILE130E, ILE166C, ILE227C, ILE252C, ILE93C, LEU110C, LEU112C, LEU134C, LEU176E, LEU178E, LEU201E, LEU205E, LYS179E, MET86C, PHE123E, PHE245C, PHE83C, PRO135C, PRO169C, PRO173E, PRO204E, PRO66E, SER198E, SER254C, THR119E, THR122E, TRP132C, TRP210E, TYR127E, TYR164C, TYR88C, VAL111C, VAL165C, VAL209E, VAL255C, VAL56C, VAL57C