1YXM

crystal structure of peroxisomal trans 2-enoyl coa reductase

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 133
  • Norm. En. per Res.: -4.8095
• Hub Node: A(3)

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	-151.4122	-45.0147	-443.234	-639.6609	133	33	13	17443	5	28	32
A-C	-57.6628	6.4852	-157.955	-209.1326	53	9	2	5465	0	12	13
A-D	-90.7682	0.0	-658.799	-749.5672	203	9	43	25682	0	19	26
B-C	-73.4654	0.0	-657.59	-731.0554	205	9	42	25414	0	18	24
B-D	-51.5569	-20.7661	-203.218	-275.5409	60	9	4	6807	1	14	17
C-D	-81.4982	-34.1602	-346.486	-462.1444	116	25	13	13886	4	22	22

Interface residues

• A-B: ALA116A, ALA116B, ALA141A, ALA141B, ALA163A, ALA163B, ALA168A, ALA168B, ALA173A, ALA173B, ALA174A, ALA174B, ALA176A, ALA176B, ALA186A, ALA186B, ALA190A, ALA190B, ARG175A, ARG175B, ARG82A, ARG82B, ASN131A, ASN131B, ASN180A, ASN180B, ASN83A, ASN88B, CYS139A, CYS139B, GLU117A, GLU117B, GLU129A, GLU129B, GLU188A, GLU188B, GLU84A, GLU84B, GLU85A, GLY123A, GLY123B, GLY134A, GLY134B, GLY164A, GLY164B, GLY172A, GLY172B, GLY177A, GLY177B, HIS118A, HIS118B, HIS125A, HIS125B, HIS170A, HIS170B, HIS270A, HIS270B, ILE119A, ILE119B, ILE158B, ILE196A, ILE196B, LEU128A, LEU128B, LEU132A, LEU132B, LEU167A, LEU167B, LEU181A, LEU181B, LEU185A, LEU185B, LEU187A, LEU187B, LYS122A, LYS122B, LYS140A, LYS140B, LYS148A, LYS148B, LYS162A, LYS162B, LYS183A, LYS183B, PHE136A, PHE136B, PHE165A, PHE165B, PRO115A, PRO115B, PRO160A, PRO160B, PRO166A, PRO166B, SER114A, SER114B, SER120A, SER120B, SER121A, SER121B, SER144A, SER144B, SER145A, SER145B, SER171A, SER171B, SER184A, SER184B, THR133A, THR133B, THR135A, THR135B, THR161A, THR161B, THR182A, THR182B, THR269B, TRP124A, TRP124B, TRP189A, TRP189B, TYR137A, TYR137B, TYR143A, TYR143B, TYR179A, TYR179B, VAL159A, VAL159B, VAL169A, VAL169B, VAL178A, VAL178B
• A-C: ALA116A, ALA163A, ALA168A, ALA168C, ARG265A, ARG265C, GLN226A, GLN226C, GLU273A, GLU273C, GLY164A, GLY164C, GLY264A, GLY264C, HIS270A, HIS270C, ILE228A, ILE228C, LEU113A, LEU167A, LEU167C, LEU267A, LEU267C, LYS162A, LYS227A, LYS227C, LYS231A, LYS231C, PHE165A, PHE165C, PRO115A, PRO160C, PRO166A, PRO166C, PRO229A, PRO229C, SER224A, SER224C, SER266A, SER266C, SER271A, SER271C, THR161A, THR269A, THR269C, TYR268A, TYR268C, TYR272A, TYR272C, VAL203A, VAL203C, VAL274A, VAL274C
• A-D: ALA12A, ALA12D, ALA186A, ALA186D, ALA190A, ALA190D, ALA200A, ALA200D, ALA230A, ALA230D, ALA250A, ALA250D, ALA251A, ALA251D, ALA284A, ALA284D, ARG195A, ARG195D, ARG232A, ARG232D, ARG265A, ARG265D, ARG8A, ARG8D, ASN180A, ASN180D, ASN197A, ASN197D, ASN279A, ASN279D, ASP260A, ASP260D, ASP262A, ASP262D, ASP276A, ASP276D, ASP278A, ASP278D, CYS191A, CYS191D, CYS244A, CYS244D, GLN257A, GLN257D, GLU149A, GLU149D, GLU188A, GLU188D, GLU237A, GLU237D, GLU238A, GLU238D, GLU273A, GLU273D, GLU37A, GLU37D, GLY151A, GLY151D, GLY152A, GLY152D, GLY193A, GLY193D, GLY202A, GLY202D, GLY234A, GLY234D, GLY256A, GLY256D, GLY263A, GLY263D, GLY264A, GLY264D, GLY283A, GLY283D, GLY285D, HIS150A, HIS150D, HIS277A, HIS277D, ILE194A, ILE194D, ILE196A, ILE196D, ILE204A, ILE204D, ILE228A, ILE228D, ILE233A, ILE233D, ILE254A, ILE254D, LEU11A, LEU11D, LEU15A, LEU15D, LEU16A, LEU16D, LEU185A, LEU185D, LEU187A, LEU187D, LEU246A, LEU246D, LEU267A, LEU267D, LEU287A, LEU287D, LEU41A, LEU41D, LYS148A, LYS148D, LYS162A, LYS162D, LYS183A, LYS183D, LYS231A, LYS231D, LYS282A, LYS282D, MET147D, PHE225A, PHE225D, PHE245A, PHE245D, PHE253A, PHE253D, PRO13A, PRO13D, PRO160A, PRO160D, PRO201A, PRO201D, PRO229A, PRO229D, PRO249A, PRO249D, PRO275A, PRO275D, PRO281A, PRO281D, SER153A, SER153D, SER184A, SER184D, SER192A, SER192D, SER224D, SER240A, SER240D, SER241A, SER241D, SER248A, SER248D, SER252A, SER252D, SER258A, SER258D, SER266A, SER266D, SER271A, SER271D, SER9A, SER9D, THR182A, THR182D, THR255A, THR255D, THR269A, THR269D, TRP189A, TRP189D, TRP280A, TRP280D, TYR10A, TYR10D, TYR179A, TYR179D, TYR205A, TYR205D, TYR268A, TYR268D, TYR272A, TYR272D, VAL199A, VAL199D, VAL203A, VAL203D, VAL235A, VAL235D, VAL239A, VAL239D, VAL242A, VAL242D, VAL243A, VAL243D, VAL259A, VAL259D, VAL261A, VAL261D, VAL274A, VAL274D, VAL290A, VAL290D
• B-C: ALA12B, ALA12C, ALA186B, ALA186C, ALA190B, ALA190C, ALA200B, ALA200C, ALA230B, ALA230C, ALA250B, ALA250C, ALA251B, ALA251C, ALA284B, ALA284C, ARG195B, ARG195C, ARG232B, ARG232C, ARG265B, ARG265C, ARG8B, ARG8C, ASN180B, ASN180C, ASN197B, ASN197C, ASN279B, ASN279C, ASP260B, ASP260C, ASP262B, ASP262C, ASP276B, ASP276C, ASP278B, ASP278C, CYS191B, CYS191C, CYS244B, CYS244C, GLN257B, GLN257C, GLU149B, GLU149C, GLU188B, GLU188C, GLU237B, GLU237C, GLU238B, GLU238C, GLU273B, GLU273C, GLU37B, GLU37C, GLY14B, GLY14C, GLY151B, GLY151C, GLY152B, GLY152C, GLY193B, GLY193C, GLY202B, GLY202C, GLY234B, GLY234C, GLY256B, GLY256C, GLY263B, GLY263C, GLY264B, GLY264C, GLY283B, GLY283C, GLY285B, HIS150B, HIS150C, HIS277B, HIS277C, ILE194B, ILE194C, ILE196B, ILE196C, ILE204B, ILE204C, ILE228B, ILE228C, ILE233B, ILE233C, ILE254B, ILE254C, LEU11B, LEU11C, LEU15B, LEU15C, LEU16B, LEU16C, LEU185B, LEU185C, LEU187B, LEU187C, LEU246B, LEU246C, LEU267B, LEU267C, LEU287B, LEU287C, LEU41B, LEU41C, LYS148B, LYS148C, LYS162B, LYS183B, LYS183C, LYS231B, LYS231C, LYS282B, LYS282C, MET147B, MET147C, PHE225B, PHE225C, PHE245B, PHE245C, PHE253B, PHE253C, PRO13B, PRO13C, PRO160B, PRO160C, PRO201B, PRO201C, PRO229B, PRO229C, PRO249B, PRO249C, PRO275B, PRO275C, PRO281B, PRO281C, SER153B, SER153C, SER184B, SER184C, SER192B, SER192C, SER224B, SER240B, SER240C, SER241B, SER241C, SER248B, SER248C, SER252B, SER252C, SER258B, SER258C, SER266B, SER266C, SER271B, SER271C, SER9B, SER9C, THR182B, THR182C, THR255B, THR255C, THR269B, THR269C, TRP189B, TRP189C, TRP280B, TRP280C, TYR10B, TYR10C, TYR179B, TYR179C, TYR205B, TYR205C, TYR268B, TYR268C, TYR272B, TYR272C, VAL199B, VAL199C, VAL203B, VAL203C, VAL235B, VAL235C, VAL239B, VAL239C, VAL242B, VAL242C, VAL243B, VAL243C, VAL259B, VAL259C, VAL261B, VAL261C, VAL274B, VAL274C, VAL290B, VAL290C
• B-D: ALA116B, ALA163B, ALA163D, ALA168B, ARG265B, ARG265D, GLN226B, GLN226D, GLU273B, GLU273D, GLY164B, GLY164D, GLY264B, GLY264D, HIS270B, HIS270D, ILE228B, ILE228D, LEU113B, LEU113D, LEU167B, LEU167D, LEU267B, LEU267D, LYS162B, LYS162D, LYS227B, LYS227D, LYS231B, LYS231D, PHE165B, PHE165D, PHE220B, PHE220D, PRO115B, PRO115D, PRO160B, PRO160D, PRO166B, PRO166D, PRO229B, PRO229D, SER224B, SER224D, SER266B, SER266D, SER271B, SER271D, THR161B, THR161D, THR269B, THR269D, TYR268B, TYR268D, TYR272B, TYR272D, VAL203B, VAL203D, VAL274B, VAL274D
• C-D: ALA116D, ALA141C, ALA163D, ALA168C, ALA168D, ALA173C, ALA173D, ALA174C, ALA174D, ALA176C, ALA176D, ALA186C, ALA186D, ALA190C, ARG175C, ARG175D, ARG82C, ARG82D, ASN131C, ASN131D, ASN180C, ASN180D, ASN83C, ASN83D, ASN88C, CYS139C, CYS139D, GLU117D, GLU129C, GLU129D, GLU188C, GLU188D, GLU84C, GLU84D, GLU85C, GLY123D, GLY134C, GLY134D, GLY164C, GLY164D, GLY172C, GLY172D, GLY177C, GLY177D, HIS118D, HIS125C, HIS125D, HIS170C, HIS170D, HIS270C, HIS270D, ILE119D, ILE158D, ILE196C, LEU128C, LEU128D, LEU132C, LEU132D, LEU167C, LEU167D, LEU181C, LEU181D, LEU185C, LEU185D, LEU187C, LEU187D, LYS122D, LYS140C, LYS140D, LYS148C, LYS162D, LYS183C, LYS183D, PHE112D, PHE136C, PHE136D, PHE165C, PHE165D, PRO115D, PRO160C, PRO160D, PRO166C, PRO166D, SER114D, SER120D, SER121D, SER144C, SER145C, SER171C, SER171D, SER184C, SER184D, THR133C, THR133D, THR135C, THR135D, THR161D, THR182C, THR182D, THR269C, THR269D, TRP124C, TRP124D, TRP189C, TRP189D, TYR137C, TYR137D, TYR143C, TYR179C, TYR179D, VAL159C, VAL159D, VAL169C, VAL169D, VAL178C, VAL178D