3N2O

x-ray crystal structure of arginine decarboxylase complexed with arginine from vibrio vulnificus

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 542
  • Norm. En. per Res.: -3.8654
• 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	-360.2117	-154.8427	-1579.99	-2095.0444	542	74	35	67838	16	207	176
A-C	0.0	0.0	-36.3226	-36.3226	26	0	1	1660	0	2	0
A-D	-44.8498	-170.5718	-319.916	-535.3376	181	20	0	12667	10	52	52
B-C	-55.462	-165.1825	-317.284	-537.9285	190	17	0	12822	10	57	55
B-D	0.0	0.0	-41.0081	-41.0081	27	3	1	1784	0	2	0
C-D	-364.8344	-139.0296	-1552.61	-2056.474	540	77	36	67181	16	205	176

Interface residues

• A-B: ALA132A, ALA132B, ALA140A, ALA140B, ALA143A, ALA143B, ALA145A, ALA145B, ALA148A, ALA148B, ALA166A, ALA166B, ALA209A, ALA209B, ALA213A, ALA213B, ALA218A, ALA218B, ALA230A, ALA230B, ALA274A, ALA274B, ALA412A, ALA412B, ALA419A, ALA419B, ALA429A, ALA429B, ALA431A, ALA431B, ALA465A, ALA465B, ALA504A, ALA504B, ALA516A, ALA516B, ALA519A, ALA519B, ALA625A, ALA625B, ARG110A, ARG110B, ARG160A, ARG160B, ARG164A, ARG164B, ARG205A, ARG205B, ARG207A, ARG207B, ARG275A, ARG275B, ARG281B, ARG428A, ARG428B, ARG437A, ARG437B, ARG463A, ARG463B, ARG502A, ARG503A, ARG503B, ARG594A, ARG594B, ARG604A, ARG604B, ARG614A, ARG614B, ARG69A, ARG69B, ASN107A, ASN107B, ASN155A, ASN155B, ASN235A, ASN235B, ASN268A, ASN268B, ASN271A, ASN271B, ASN471A, ASN471B, ASN560A, ASN560B, ASN584A, ASN584B, ASN606A, ASN606B, ASP114A, ASP114B, ASP159A, ASP159B, ASP332A, ASP332B, ASP466A, ASP466B, ASP480A, ASP480B, ASP485A, ASP485B, ASP508A, ASP508B, ASP512A, ASP512B, ASP514A, ASP514B, ASP518A, ASP518B, ASP557A, ASP557B, ASP564A, ASP564B, ASP587A, ASP599A, ASP599B, ASP616A, ASP616B, ASP639A, ASP639B, CYS154B, CYS278A, CYS278B, CYS511A, CYS511B, GLN108A, GLN108B, GLN109A, GLN109B, GLN146A, GLN146B, GLN211A, GLN211B, GLN217A, GLN217B, GLN232A, GLN232B, GLN408A, GLN408B, GLN417A, GLN417B, GLN433A, GLN433B, GLN476A, GLN476B, GLN486A, GLN486B, GLN552A, GLN552B, GLN602A, GLN602B, GLN613A, GLN613B, GLN620A, GLN620B, GLN622A, GLN622B, GLN629A, GLN629B, GLU111A, GLU111B, GLU131A, GLU131B, GLU137A, GLU137B, GLU161A, GLU161B, GLU170A, GLU170B, GLU181A, GLU181B, GLU185A, GLU185B, GLU192A, GLU192B, GLU222A, GLU222B, GLU272A, GLU272B, GLU279A, GLU279B, GLU363A, GLU363B, GLU368A, GLU368B, GLU426A, GLU426B, GLU432A, GLU432B, GLU459A, GLU459B, GLU462A, GLU462B, GLU527A, GLU537A, GLU553A, GLU553B, GLU585A, GLU585B, GLU590A, GLU590B, GLU619A, GLU619B, GLU626A, GLU626B, GLU628A, GLU628B, GLU638A, GLU638B, GLY133A, GLY133B, GLY156A, GLY156B, GLY169A, GLY169B, GLY173A, GLY173B, GLY197A, GLY197B, GLY214A, GLY214B, GLY220A, GLY220B, GLY221A, GLY221B, GLY227A, GLY227B, GLY257A, GLY257B, GLY361A, GLY361B, GLY421A, GLY421B, GLY483A, GLY483B, GLY515A, GLY515B, GLY556A, GLY556B, GLY563A, GLY563B, GLY630A, GLY630B, GLY633A, GLY633B, HIS147A, HIS147B, HIS174A, HIS174B, HIS253A, HIS253B, HIS255A, HIS255B, HIS415A, HIS415B, HIS427A, HIS427B, HIS559A, HIS559B, HIS597A, HIS597B, HIS608A, HIS608B, ILE104A, ILE104B, ILE163A, ILE163B, ILE168A, ILE168B, ILE204A, ILE204B, ILE206A, ILE206B, ILE237A, ILE237B, ILE360A, ILE360B, ILE484A, ILE484B, ILE509A, ILE509B, ILE517A, ILE517B, ILE554A, ILE554B, ILE583A, ILE598A, ILE598B, ILE603A, ILE603B, ILE623A, ILE623B, LEU138A, LEU138B, LEU139A, LEU139B, LEU142A, LEU142B, LEU165A, LEU165B, LEU167A, LEU167B, LEU172A, LEU172B, LEU188B, LEU196A, LEU196B, LEU208A, LEU208B, LEU228A, LEU228B, LEU234A, LEU234B, LEU256A, LEU256B, LEU280A, LEU280B, LEU283A, LEU283B, LEU411A, LEU411B, LEU423A, LEU423B, LEU425A, LEU425B, LEU436A, LEU436B, LEU460A, LEU460B, LEU464A, LEU464B, LEU474A, LEU474B, LEU478A, LEU478B, LEU507A, LEU507B, LEU555A, LEU555B, LEU561A, LEU561B, LEU610A, LEU610B, LEU624A, LEU624B, LEU627A, LEU627B, LEU631A, LEU631B, LEU637A, LEU637B, LEU67B, LYS105A, LYS105B, LYS135A, LYS135B, LYS158A, LYS158B, LYS171A, LYS171B, LYS182A, LYS182B, LYS215A, LYS215B, LYS223A, LYS223B, LYS225A, LYS225B, LYS366A, LYS366B, LYS467A, LYS467B, LYS605A, LYS605B, MET144A, MET144B, MET183A, MET183B, MET506A, MET506B, MET558A, MET558B, MET592A, MET592B, MET593A, MET593B, PHE226A, PHE226B, PHE276A, PHE276B, PHE418A, PHE418B, PHE468A, PHE468B, PHE469A, PHE469B, PHE472A, PHE472B, PHE475A, PHE475B, PHE562A, PHE562B, PHE582A, PHE582B, PRO103A, PRO103B, PRO136A, PRO136B, PRO479A, PRO479B, SER134A, SER134B, SER149A, SER149B, SER150B, SER184A, SER184B, SER195A, SER195B, SER210A, SER210B, SER219A, SER219B, SER224A, SER224B, SER229A, SER229B, SER231A, SER231B, SER258A, SER258B, SER273A, SER273B, SER416A, SER416B, SER435A, SER435B, SER461A, SER461B, SER473A, SER473B, SER481A, SER481B, SER513A, SER513B, SER528A, SER528B, SER567A, SER567B, SER609A, SER609B, SER612A, SER612B, SER632A, SER632B, THR282A, THR282B, THR362A, THR362B, THR364A, THR364B, THR420A, THR420B, THR424A, THR424B, THR434A, THR434B, THR510A, THR510B, THR529A, THR529B, THR588A, THR588B, THR635A, THR635B, TRP216A, TRP216B, TRP430A, TRP430B, TRP482A, TRP482B, TRP535A, TRP535B, TYR157A, TYR157B, TYR162A, TYR162B, TYR277A, TYR277B, TYR333A, TYR333B, TYR365A, TYR365B, TYR439A, TYR439B, TYR520A, TYR520B, TYR551A, TYR551B, TYR595A, TYR595B, TYR607A, TYR607B, TYR634A, TYR634B, TYR636A, TYR636B, VAL106A, VAL106B, VAL112A, VAL112B, VAL113A, VAL113B, VAL141A, VAL141B, VAL198A, VAL198B, VAL233A, VAL233B, VAL329A, VAL329B, VAL359A, VAL359B, VAL414A, VAL414B, VAL422A, VAL422B, VAL470A, VAL470B, VAL505A, VAL505B, VAL569A, VAL569B, VAL589A, VAL589B, VAL596A, VAL596B, VAL600A, VAL600B, VAL611A, VAL611B, VAL615A, VAL615B
• A-C: ALA412A, ALA412C, ALA419A, ALA419C, GLN417A, GLN417C, GLU413A, GLU413C, GLY421A, GLY421C, HIS415A, HIS415C, LEU380A, LEU380C, LEU423A, LEU423C, PHE418A, PHE418C, SER416A, SER416C, THR420A, THR420C, VAL414A, VAL414C, VAL422A, VAL422C
• A-D: ALA16D, ALA261A, ALA261D, ALA397A, ALA397D, ALA399A, ALA399D, ALA412A, ALA412D, ARG264A, ARG264D, ARG267A, ARG267D, ARG275A, ARG275D, ARG304A, ARG304D, ARG320A, ARG320D, ARG386A, ARG386D, ARG398A, ARG398D, ARG451A, ARG451D, ARG454A, ARG454D, ARG463A, ARG463D, ASN19A, ASN19D, ASN262A, ASN262D, ASN268A, ASN268D, ASN271A, ASN271D, ASN312A, ASN312D, ASN321A, ASN321D, ASN324A, ASN324D, ASN382A, ASN383A, ASN383D, ASN390A, ASN390D, ASN405A, ASN405D, ASN450A, ASN450D, ASP265A, ASP265D, ASP299A, ASP299D, ASP301A, ASP301D, ASP328A, ASP328D, ASP332A, ASP332D, ASP396A, ASP406A, ASP406D, ASP410A, ASP410D, ASP522A, ASP522D, CYS330A, CYS330D, GLN25D, GLN306A, GLN306D, GLN408A, GLN408D, GLN417A, GLN417D, GLN524A, GLN524D, GLN87A, GLN87D, GLU317A, GLU317D, GLU402A, GLU402D, GLU413A, GLU413D, GLU459A, GLU459D, GLU91A, GLU91D, GLY302A, GLY302D, GLY314A, GLY314D, GLY327A, GLY327D, GLY523A, GLY523D, GLY525A, GLY525D, HIS21A, HIS21D, HIS415A, HIS453A, HIS453D, ILE263A, ILE263D, ILE401A, ILE401D, ILE403A, ILE403D, ILE456A, ILE456D, ILE526A, ILE526D, LEU315A, LEU315D, LEU379A, LEU379D, LEU380A, LEU380D, LEU400A, LEU400D, LEU411A, LEU411D, LYS331A, LYS331D, LYS449A, MET311A, MET311D, MET384A, MET384D, PHE452A, PHE452D, PRO378A, PRO378D, PRO455A, PRO455D, SER305A, SER305D, SER310A, SER310D, SER409A, SER409D, SER416A, SER416D, THR303A, THR303D, THR325A, THR325D, THR407A, THR407D, TRP23A, TRP23D, TYR18A, TYR18D, TYR22A, TYR22D, TYR313A, TYR313D, TYR318A, TYR318D, TYR333A, TYR404A, TYR404D, TYR439A, TYR439D, TYR92A, TYR92D, VAL316A, VAL316D, VAL329A, VAL329D, VAL414A, VAL414D, VAL422A, VAL422D, VAL521A, VAL521D
• B-C: ALA16B, ALA16C, ALA261B, ALA261C, ALA319B, ALA397B, ALA397C, ALA399B, ALA399C, ALA412B, ALA412C, ALA88C, ARG15C, ARG264B, ARG264C, ARG267B, ARG267C, ARG275B, ARG275C, ARG304B, ARG304C, ARG320B, ARG320C, ARG386B, ARG386C, ARG398B, ARG398C, ARG451B, ARG451C, ARG454B, ARG454C, ARG463B, ARG463C, ASN19B, ASN19C, ASN262B, ASN262C, ASN268B, ASN268C, ASN271B, ASN271C, ASN312B, ASN312C, ASN321B, ASN321C, ASN324B, ASN324C, ASN382B, ASN383B, ASN383C, ASN390B, ASN390C, ASN405B, ASN405C, ASN450B, ASN450C, ASP17B, ASP17C, ASP265B, ASP265C, ASP299B, ASP299C, ASP301B, ASP301C, ASP328B, ASP328C, ASP332B, ASP332C, ASP396C, ASP406B, ASP406C, ASP410B, ASP410C, ASP522B, ASP522C, CYS330B, CYS330C, GLN25C, GLN306B, GLN306C, GLN408B, GLN408C, GLN417B, GLN417C, GLN524B, GLN524C, GLN87B, GLN87C, GLN93C, GLU317B, GLU317C, GLU402B, GLU402C, GLU413B, GLU413C, GLU459B, GLU459C, GLU90C, GLU91B, GLU91C, GLY302B, GLY302C, GLY314B, GLY314C, GLY327B, GLY327C, GLY523B, GLY523C, GLY525B, GLY525C, HIS21B, HIS21C, HIS415B, HIS415C, HIS453B, ILE263B, ILE263C, ILE401B, ILE401C, ILE403B, ILE403C, ILE456B, ILE456C, ILE526B, LEU315C, LEU379B, LEU379C, LEU380B, LEU380C, LEU400B, LEU400C, LEU411B, LEU411C, LYS331B, LYS331C, LYS449B, LYS449C, MET311B, MET311C, MET337B, MET337C, MET384B, MET384C, PHE452B, PHE452C, PRO378B, PRO378C, PRO455B, PRO455C, SER305B, SER305C, SER310B, SER310C, SER387B, SER409B, SER409C, SER416B, SER416C, THR303B, THR303C, THR325B, THR325C, THR407B, THR407C, TRP23B, TRP23C, TYR18B, TYR18C, TYR22B, TYR22C, TYR313B, TYR313C, TYR318B, TYR318C, TYR333C, TYR404B, TYR404C, TYR439B, TYR439C, TYR92B, TYR92C, VAL316B, VAL316C, VAL329B, VAL329C, VAL414B, VAL414C, VAL422B, VAL422C, VAL521B
• B-D: ALA213D, ALA412B, ALA412D, ALA419B, ALA419D, ARG264B, GLN417B, GLN417D, GLU413B, GLU413D, GLY421B, GLY421D, HIS415B, HIS415D, LEU380D, LEU423B, LEU423D, PHE418B, PHE418D, SER416B, SER416D, THR420B, THR420D, VAL414B, VAL414D, VAL422B, VAL422D
• C-D: ALA132C, ALA132D, ALA140C, ALA140D, ALA143C, ALA143D, ALA145C, ALA145D, ALA148C, ALA148D, ALA166D, ALA209C, ALA209D, ALA213C, ALA213D, ALA218C, ALA218D, ALA230C, ALA230D, ALA274C, ALA274D, ALA412C, ALA412D, ALA419C, ALA419D, ALA429C, ALA429D, ALA431C, ALA431D, ALA465C, ALA465D, ALA504C, ALA504D, ALA516C, ALA516D, ALA519C, ALA519D, ALA625C, ALA625D, ARG110C, ARG110D, ARG160C, ARG160D, ARG164C, ARG164D, ARG205C, ARG205D, ARG207C, ARG207D, ARG275C, ARG275D, ARG281C, ARG281D, ARG428C, ARG428D, ARG437C, ARG437D, ARG463C, ARG463D, ARG502C, ARG502D, ARG503C, ARG503D, ARG594C, ARG594D, ARG604C, ARG604D, ARG614C, ARG614D, ARG69C, ARG69D, ASN107C, ASN107D, ASN155C, ASN155D, ASN235C, ASN235D, ASN268C, ASN268D, ASN271C, ASN271D, ASN471C, ASN471D, ASN560C, ASN560D, ASN584C, ASN584D, ASN606C, ASN606D, ASP114C, ASP114D, ASP159C, ASP159D, ASP332C, ASP332D, ASP466C, ASP466D, ASP480C, ASP480D, ASP485C, ASP485D, ASP508C, ASP508D, ASP512C, ASP512D, ASP514C, ASP514D, ASP518C, ASP518D, ASP557C, ASP557D, ASP564C, ASP564D, ASP599C, ASP599D, ASP616C, ASP616D, ASP639C, ASP639D, CYS278C, CYS278D, CYS511C, CYS511D, GLN108C, GLN108D, GLN109C, GLN109D, GLN146C, GLN146D, GLN211D, GLN217C, GLN217D, GLN232C, GLN232D, GLN408C, GLN408D, GLN417C, GLN417D, GLN433C, GLN433D, GLN476C, GLN476D, GLN486C, GLN486D, GLN552C, GLN552D, GLN602C, GLN602D, GLN613C, GLN613D, GLN620C, GLN620D, GLN622C, GLN622D, GLN629C, GLN629D, GLU111C, GLU111D, GLU131C, GLU131D, GLU137C, GLU137D, GLU161C, GLU161D, GLU170C, GLU170D, GLU181C, GLU181D, GLU185C, GLU185D, GLU192C, GLU192D, GLU222C, GLU222D, GLU272C, GLU272D, GLU279C, GLU279D, GLU363C, GLU363D, GLU368D, GLU426C, GLU426D, GLU432C, GLU432D, GLU459C, GLU459D, GLU462C, GLU462D, GLU527C, GLU527D, GLU553C, GLU553D, GLU585C, GLU585D, GLU590C, GLU590D, GLU618D, GLU619C, GLU619D, GLU626C, GLU626D, GLU628C, GLU628D, GLU638C, GLU638D, GLY133C, GLY133D, GLY156C, GLY156D, GLY169C, GLY169D, GLY173C, GLY173D, GLY197C, GLY197D, GLY214C, GLY214D, GLY220C, GLY220D, GLY221C, GLY221D, GLY227C, GLY227D, GLY257C, GLY257D, GLY361C, GLY361D, GLY421C, GLY421D, GLY483C, GLY483D, GLY515C, GLY515D, GLY556C, GLY556D, GLY563C, GLY563D, GLY586D, GLY630C, GLY630D, GLY633C, GLY633D, HIS147C, HIS147D, HIS174C, HIS174D, HIS253C, HIS255C, HIS255D, HIS415C, HIS415D, HIS427C, HIS427D, HIS559C, HIS559D, HIS597C, HIS597D, HIS608C, HIS608D, ILE104C, ILE104D, ILE163C, ILE163D, ILE168C, ILE168D, ILE204C, ILE204D, ILE206C, ILE206D, ILE237C, ILE237D, ILE360C, ILE360D, ILE484C, ILE484D, ILE509C, ILE509D, ILE517C, ILE517D, ILE554C, ILE554D, ILE598C, ILE598D, ILE603C, ILE603D, ILE623C, ILE623D, LEU138C, LEU138D, LEU139C, LEU139D, LEU142C, LEU142D, LEU165C, LEU165D, LEU167C, LEU167D, LEU172C, LEU172D, LEU188D, LEU196C, LEU196D, LEU208C, LEU208D, LEU228C, LEU228D, LEU234C, LEU234D, LEU256C, LEU256D, LEU280C, LEU280D, LEU283C, LEU283D, LEU411C, LEU411D, LEU423C, LEU423D, LEU425C, LEU425D, LEU436C, LEU436D, LEU460C, LEU460D, LEU464C, LEU464D, LEU474C, LEU474D, LEU478C, LEU478D, LEU507C, LEU507D, LEU555C, LEU555D, LEU561C, LEU561D, LEU610C, LEU610D, LEU624C, LEU624D, LEU627C, LEU627D, LEU631C, LEU631D, LEU637C, LEU637D, LEU67C, LYS105C, LYS105D, LYS135C, LYS135D, LYS158C, LYS158D, LYS171C, LYS171D, LYS182C, LYS182D, LYS215C, LYS215D, LYS223C, LYS223D, LYS225C, LYS225D, LYS241C, LYS241D, LYS366C, LYS366D, LYS467C, LYS467D, LYS605C, LYS605D, MET144C, MET144D, MET183C, MET183D, MET260D, MET506C, MET506D, MET558C, MET558D, MET592C, MET592D, MET593C, MET593D, PHE226C, PHE226D, PHE276C, PHE276D, PHE418C, PHE418D, PHE468C, PHE468D, PHE469C, PHE469D, PHE472C, PHE472D, PHE475C, PHE475D, PHE562C, PHE562D, PHE582C, PHE582D, PRO103C, PRO103D, PRO136C, PRO136D, PRO479C, PRO479D, SER134C, SER134D, SER149C, SER149D, SER184C, SER184D, SER195C, SER195D, SER210C, SER210D, SER219C, SER219D, SER224C, SER224D, SER229C, SER229D, SER231C, SER231D, SER258C, SER258D, SER273C, SER273D, SER416C, SER416D, SER435C, SER435D, SER461C, SER461D, SER473C, SER473D, SER481C, SER481D, SER513C, SER513D, SER528C, SER528D, SER567C, SER567D, SER609C, SER609D, SER612C, SER612D, SER632C, SER632D, THR282C, THR282D, THR362C, THR362D, THR364C, THR364D, THR420C, THR420D, THR424C, THR424D, THR434C, THR434D, THR510C, THR510D, THR529C, THR529D, THR588C, THR588D, THR635C, THR635D, TRP216C, TRP216D, TRP430C, TRP430D, TRP482C, TRP482D, TRP535C, TRP535D, TYR157C, TYR157D, TYR162C, TYR162D, TYR277C, TYR277D, TYR333C, TYR333D, TYR365C, TYR365D, TYR439C, TYR439D, TYR520C, TYR520D, TYR551C, TYR551D, TYR595C, TYR595D, TYR607C, TYR607D, TYR634C, TYR634D, TYR636C, TYR636D, VAL106C, VAL106D, VAL112C, VAL112D, VAL113C, VAL113D, VAL141C, VAL141D, VAL198C, VAL198D, VAL233C, VAL233D, VAL329C, VAL329D, VAL359C, VAL359D, VAL414C, VAL414D, VAL422C, VAL422D, VAL470C, VAL470D, VAL505C, VAL505D, VAL569C, VAL589C, VAL589D, VAL596C, VAL596D, VAL600C, VAL600D, VAL611C, VAL611D, VAL615C, VAL615D