2QTC

e. coli pyruvate dehydrogenase e1 component e401k mutant with phosphonolactylthiamin diphosphate

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 528
  • Norm. En. per Res.: -4.7346
• 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	-382.1808	-429.5648	-1688.14	-2499.8856	528	66	14	66263	39	216	241

Interface residues

• A-B: ALA108B, ALA241A, ALA241B, ALA285A, ALA285B, ALA399B, ALA400B, ALA520A, ALA520B, ALA523A, ALA523B, ALA574A, ALA574B, ALA613A, ALA613B, ALA614A, ALA614B, ALA619A, ALA765A, ALA765B, ALA808A, ALA808B, ALA851A, ALA851B, ALA852A, ALA852B, ALA857A, ALA857B, ALA868A, ALA868B, ALA870A, ALA870B, ALA878A, ALA878B, ALA886A, ALA886B, ARG166A, ARG166B, ARG247A, ARG247B, ARG263A, ARG263B, ARG524A, ARG524B, ARG606A, ARG606B, ARG630A, ARG630B, ARG676A, ARG676B, ARG766A, ARG766B, ARG773A, ARG773B, ARG784A, ARG784B, ARG812A, ARG812B, ARG821A, ARG821B, ARG830A, ARG830B, ARG834A, ARG834B, ARG838A, ARG838B, ARG884A, ARG884B, ASN164A, ASN164B, ASN271A, ASN271B, ASN276A, ASN276B, ASN570A, ASN570B, ASN634A, ASN634B, ASN654A, ASN654B, ASN684A, ASN684B, ASN693A, ASN693B, ASN695A, ASN695B, ASN775A, ASN775B, ASN836A, ASN836B, ASN875A, ASN875B, ASN882A, ASN882B, ASP100A, ASP100B, ASP230A, ASP230B, ASP234A, ASP234B, ASP265A, ASP265B, ASP521A, ASP521B, ASP559B, ASP609A, ASP609B, ASP616A, ASP616B, ASP642A, ASP642B, ASP767A, ASP767B, ASP770A, ASP770B, ASP818A, ASP818B, ASP819A, ASP819B, ASP826A, ASP826B, ASP832A, ASP832B, ASP863A, ASP863B, ASP869A, ASP869B, ASP877A, ASP877B, ASP879A, ASP879B, CYS576A, CYS576B, CYS611A, CYS611B, CYS655A, CYS655B, CYS771A, CYS771B, GLN140B, GLN167A, GLN167B, GLN262A, GLN262B, GLN566A, GLN566B, GLN605A, GLN605B, GLN617A, GLN617B, GLN618A, GLN618B, GLN639A, GLN639B, GLN648A, GLN648B, GLN769A, GLN769B, GLN810A, GLN810B, GLU102A, GLU102B, GLU168A, GLU168B, GLU232A, GLU232B, GLU235A, GLU235B, GLU237A, GLU237B, GLU248A, GLU248B, GLU277A, GLU277B, GLU279A, GLU279B, GLU283A, GLU283B, GLU522A, GLU522B, GLU529A, GLU529B, GLU558A, GLU558B, GLU567A, GLU567B, GLU571A, GLU571B, GLU636A, GLU636B, GLU641A, GLU641B, GLU683A, GLU683B, GLU694A, GLU694B, GLU763A, GLU763B, GLU772A, GLU772B, GLU781A, GLU781B, GLU809A, GLU809B, GLU835A, GLU835B, GLU842A, GLU842B, GLU855A, GLU855B, GLY104A, GLY104B, GLY105A, GLY105B, GLY141A, GLY141B, GLY171A, GLY171B, GLY173A, GLY173B, GLY195A, GLY195B, GLY197A, GLY197B, GLY229A, GLY229B, GLY231A, GLY231B, GLY240A, GLY240B, GLY266A, GLY266B, GLY270A, GLY270B, GLY272A, GLY272B, GLY280A, GLY280B, GLY284A, GLY284B, GLY286A, GLY286B, GLY568A, GLY568B, GLY573A, GLY573B, GLY603A, GLY603B, GLY608A, GLY608B, GLY615A, GLY615B, GLY635A, GLY635B, GLY637A, GLY637B, GLY643A, GLY643B, GLY768A, GLY768B, GLY824A, GLY824B, GLY827A, GLY827B, GLY829A, GLY829B, GLY854A, GLY854B, HIS106A, HIS106B, HIS142A, HIS142B, HIS170A, HIS170B, HIS179A, HIS179B, HIS640A, HIS640B, HIS644A, HIS644B, HIS646A, HIS646B, HIS778A, HIS778B, HIS839A, HIS839B, HIS840A, HIS840B, ILE199A, ILE199B, ILE202A, ILE202B, ILE242A, ILE242B, ILE244A, ILE244B, ILE274A, ILE274B, ILE281A, ILE281B, ILE519A, ILE519B, ILE537A, ILE537B, ILE569A, ILE569B, ILE56A, ILE56B, ILE607A, ILE607B, ILE647A, ILE647B, ILE652A, ILE652B, ILE656A, ILE656B, ILE871A, ILE871B, ILE876A, ILE876B, LEU101A, LEU101B, LEU103A, LEU103B, LEU174A, LEU174B, LEU182A, LEU182B, LEU196A, LEU196B, LEU264A, LEU264B, LEU278A, LEU278B, LEU572A, LEU572B, LEU579B, LEU610A, LEU610B, LEU633A, LEU633B, LEU638A, LEU638B, LEU650A, LEU650B, LEU777A, LEU777B, LEU780A, LEU780B, LEU806A, LEU806B, LEU823A, LEU823B, LEU837A, LEU837B, LEU853A, LEU853B, LEU885A, LEU885B, LYS181A, LYS181B, LYS239A, LYS239B, LYS249A, LYS249B, LYS273A, LYS273B, LYS392A, LYS392B, LYS805A, LYS805B, LYS858A, LYS858B, LYS864A, LYS864B, LYS865A, LYS865B, LYS880A, LYS880B, LYS99A, LYS99B, MET183A, MET183B, MET194A, MET194B, MET233A, MET233B, MET528A, MET528B, MET601A, MET601B, MET776A, MET776B, MET804A, MET804B, PHE165A, PHE165B, PHE189A, PHE189B, PHE282A, PHE282B, PHE526A, PHE526B, PHE532A, PHE532B, PHE602A, PHE602B, PHE604A, PHE604B, PHE807A, PHE807B, PHE828A, PHE828B, PHE841A, PHE841B, PRO178A, PRO178B, PRO180A, PRO180B, PRO190A, PRO190B, PRO198A, PRO198B, PRO236A, PRO236B, PRO267A, PRO267B, PRO540A, PRO540B, PRO653A, PRO653B, PRO779A, PRO779B, PRO783A, PRO783B, PRO883A, PRO883B, SER175A, SER175B, SER176A, SER176B, SER193A, SER193B, SER238A, SER238B, SER539A, SER539B, SER645A, SER645B, SER649A, SER649B, SER831A, SER831B, SER833A, SER833B, THR191A, THR191B, THR243A, THR243B, THR246A, THR246B, THR269A, THR269B, THR525A, THR525B, THR632A, THR632B, THR651A, THR651B, THR762A, THR762B, THR782A, THR813A, THR813B, THR825A, THR825B, TRP287A, TRP287B, TRP612A, TRP612B, TRP774A, TRP774B, TYR148A, TYR177A, TYR177B, TYR203A, TYR203B, TYR538B, TYR599A, TYR599B, TYR686A, TYR686B, TYR814A, TYR814B, TYR820A, TYR820B, TYR847A, TYR847B, VAL169A, VAL169B, VAL192A, VAL192B, VAL268A, VAL268B, VAL685A, VAL685B, VAL798A, VAL798B, VAL811A, VAL811B, VAL815A, VAL815B, VAL822A, VAL822B, VAL843A, VAL843B, VAL848A, VAL848B, VAL849A, VAL849B, VAL850A, VAL850B, VAL866A, VAL866B, VAL867A, VAL867B, VAL881A, VAL881B