3B8V

crystal structure of escherichia coli alaine racemase mutant e221k

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 264
  • Norm. En. per Res.: -4.2187
• 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	-132.7648	-195.1038	-826.859	-1154.7275	275	57	11	32700	27	100	114
A-C	0.0	-5.9981	-88.7155	-94.7135	56	7	0	3238	0	14	13
C-D	-123.0691	-205.1748	-785.485	-1113.7288	264	62	10	31047	25	97	114

Interface residues

• A-B: ALA161A, ALA161B, ALA163A, ALA163B, ALA170A, ALA170B, ALA193A, ALA193B, ALA243A, ALA243B, ALA249A, ALA249B, ALA271A, ALA271B, ALA281A, ALA281B, ALA282A, ALA282B, ALA302A, ALA302B, ALA318A, ALA318B, ALA342A, ALA342B, ALA354A, ALA354B, ALA35A, ALA35B, ALA37A, ALA37B, ALA3A, ALA3B, ALA4A, ALA4B, ALA58A, ALA58B, ALA84B, ARG129A, ARG129B, ARG133A, ARG133B, ARG162A, ARG162B, ARG245A, ARG245B, ARG280A, ARG280B, ARG300A, ARG300B, ARG348A, ARG348B, ARG352A, ARG352B, ARG59A, ARG59B, ARG65A, ARG65B, ARG85A, ARG85B, ASN101A, ASN101B, ASN36A, ASN36B, ASP124A, ASP124B, ASP164A, ASP164B, ASP264A, ASP264B, ASP276A, ASP276B, ASP304A, ASP304B, ASP316A, ASP83A, ASP83B, ASP86A, ASP86B, CYS168A, CYS168B, CYS307A, CYS307B, GLN104A, GLN104B, GLN136A, GLN136B, GLN2A, GLN2B, GLU102A, GLU102B, GLU103A, GLU103B, GLU135A, GLU135B, GLU165A, GLU165B, GLU246A, GLU246B, GLU251A, GLU251B, GLU344A, GLU344B, GLU61A, GLU61B, GLU62A, GLU62B, GLU79A, GLU79B, GLY126A, GLY126B, GLY131A, GLY131B, GLY211A, GLY211B, GLY250A, GLY250B, GLY254A, GLY254B, GLY256A, GLY256B, GLY257A, GLY257B, GLY268A, GLY268B, GLY273A, GLY273B, GLY275A, GLY275B, GLY277A, GLY277B, GLY299A, GLY299B, GLY319A, GLY319B, GLY39A, GLY39B, GLY41A, GLY80A, GLY80B, HIS100A, HIS100B, HIS128A, HIS128B, HIS159A, HIS159B, HIS247A, HIS247B, ILE212A, ILE212B, ILE242A, ILE242B, ILE306A, ILE306B, ILE346A, ILE346B, LEU123A, LEU123B, LEU130A, LEU130B, LEU241A, LEU241B, LEU267A, LEU267B, LEU345A, LEU345B, LEU349A, LEU349B, LEU42A, LEU42B, LEU60A, LEU60B, LEU78A, LEU78B, LYS221A, LYS221B, LYS248A, LYS248B, LYS317A, LYS317B, LYS339A, LYS339B, LYS34A, LYS34B, MET127A, MET127B, MET1A, MET1B, MET272A, MET272B, MET303A, MET303B, MET305A, MET305B, MET355A, PHE160A, PHE160B, PHE81A, PHE81B, PHE82A, PHE82B, PRO134A, PRO134B, PRO252A, PRO252B, PRO279A, PRO279B, SER194B, SER239A, SER239B, SER240A, SER240B, SER261A, SER261B, SER341A, SER341B, SER351A, SER351B, THR125A, THR125B, THR238A, THR238B, THR258A, THR258B, THR265A, THR265B, THR338A, THR338B, THR347A, THR347B, THR350A, THR350B, THR5A, THR5B, TRP259A, TRP259B, TRP325A, TRP325B, TYR215A, TYR215B, TYR255A, TYR255B, TYR274A, TYR274B, TYR278A, TYR278B, TYR343A, TYR343B, TYR38A, TYR38B, VAL132A, VAL132B, VAL244A, VAL244B, VAL253A, VAL253B, VAL260A, VAL260B, VAL269A, VAL269B, VAL270A, VAL270B, VAL298A, VAL298B, VAL301A, VAL301B, VAL32A, VAL32B, VAL33A, VAL33B, VAL340A, VAL340B, VAL353A, VAL353B, VAL57A, VAL57B
• A-C: ALA176A, ALA24A, ALA24C, ALA26A, ALA26C, ARG189A, ARG189C, ARG21A, ARG21C, ASN179A, ASN179C, ASP206A, ASP206C, CYS182A, CYS182C, GLN188A, GLN188C, GLN202A, GLN202C, GLU183A, GLU183C, GLU22A, GLU22C, GLY184A, GLY184C, GLY187A, GLY187C, HIS204A, HIS204C, LEU175A, LEU23A, LEU23C, LYS185A, LYS185C, PHE178A, PHE181A, PHE205A, PHE205C, PRO153A, PRO153C, PRO186A, PRO186C, PRO201A, PRO201C, PRO25A, PRO25C, SER203A, SER203C, SER27A, SER27C, THR180A, THR180C, TRP200A, TRP200C, TYR141A, TYR141C
• C-D: ALA161C, ALA161D, ALA163C, ALA163D, ALA170C, ALA170D, ALA193C, ALA193D, ALA243C, ALA243D, ALA249C, ALA249D, ALA271C, ALA271D, ALA281C, ALA281D, ALA282C, ALA282D, ALA302C, ALA302D, ALA318C, ALA318D, ALA342C, ALA342D, ALA354C, ALA354D, ALA35C, ALA35D, ALA37C, ALA37D, ALA3C, ALA3D, ALA4C, ALA4D, ALA58C, ALA58D, ARG129C, ARG129D, ARG133C, ARG133D, ARG162C, ARG162D, ARG245C, ARG245D, ARG280C, ARG280D, ARG300C, ARG300D, ARG348C, ARG348D, ARG352C, ARG352D, ARG59C, ARG59D, ARG65C, ARG65D, ASN101C, ASN101D, ASN36C, ASN36D, ASP124C, ASP124D, ASP164C, ASP164D, ASP264C, ASP264D, ASP276C, ASP276D, ASP304C, ASP304D, ASP83C, ASP83D, CYS168C, CYS168D, CYS307C, CYS307D, GLN104C, GLN104D, GLN136C, GLN136D, GLN174D, GLU102C, GLU102D, GLU103C, GLU103D, GLU135C, GLU135D, GLU165C, GLU165D, GLU246C, GLU246D, GLU251C, GLU251D, GLU344C, GLU344D, GLU61C, GLU61D, GLU62C, GLU62D, GLU79C, GLU79D, GLY126C, GLY126D, GLY131C, GLY131D, GLY211C, GLY211D, GLY250C, GLY250D, GLY254C, GLY254D, GLY256C, GLY256D, GLY257C, GLY257D, GLY268C, GLY268D, GLY273C, GLY273D, GLY275C, GLY275D, GLY277C, GLY277D, GLY299C, GLY299D, GLY319C, GLY319D, GLY39C, GLY39D, GLY41D, GLY80C, GLY80D, HIS100C, HIS100D, HIS128C, HIS128D, HIS159C, HIS159D, HIS247C, HIS247D, ILE212C, ILE212D, ILE242C, ILE242D, ILE306C, ILE306D, ILE346C, ILE346D, LEU123C, LEU123D, LEU130C, LEU130D, LEU237D, LEU241C, LEU241D, LEU267C, LEU267D, LEU345C, LEU345D, LEU349C, LEU349D, LEU42C, LEU42D, LEU60D, LEU78C, LEU78D, LYS221C, LYS221D, LYS248C, LYS248D, LYS317C, LYS317D, LYS339C, LYS339D, LYS34C, LYS34D, MET127C, MET127D, MET272C, MET272D, MET303C, MET303D, MET305C, MET305D, MET355D, PHE160C, PHE160D, PHE81C, PHE81D, PHE82C, PHE82D, PRO134C, PRO134D, PRO252C, PRO252D, PRO279C, PRO279D, SER194C, SER239C, SER239D, SER240C, SER240D, SER261C, SER261D, SER341C, SER341D, SER351C, SER351D, THR125C, THR125D, THR238D, THR258C, THR258D, THR265C, THR265D, THR338C, THR347C, THR347D, THR350C, THR350D, THR5C, THR5D, TRP259C, TRP259D, TRP325C, TRP325D, TYR215C, TYR215D, TYR255C, TYR255D, TYR274C, TYR274D, TYR278C, TYR278D, TYR343C, TYR343D, TYR38C, TYR38D, VAL132C, VAL132D, VAL244C, VAL244D, VAL253C, VAL253D, VAL260C, VAL260D, VAL269C, VAL269D, VAL270C, VAL270D, VAL298C, VAL298D, VAL301C, VAL301D, VAL32C, VAL32D, VAL33C, VAL33D, VAL340C, VAL340D, VAL353C, VAL353D, VAL57C, VAL57D