2C11

crystal structure of the 2-hydrazinopyridine of semicarbazide-sensitive amine oxidase

• Total interactions analyzed: 6
• Total true interactions: 2
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 587
  • Norm. En. per Res.: -4.8318
• 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	-348.5408	-121.8058	-2357.74	-2828.0866	587	177	49	88022	10	115	131
C-D	-333.6346	-118.3482	-2384.31	-2836.2928	587	180	47	88489	9	118	131

Interface residues

• A-B: ALA224A, ALA224B, ALA236A, ALA236B, ALA311A, ALA311B, ALA370B, ALA378A, ALA378B, ALA379A, ALA379B, ALA408B, ALA428A, ALA428B, ALA456A, ALA456B, ALA484A, ALA484B, ALA491A, ALA491B, ALA503B, ALA541A, ALA550A, ALA550B, ALA582A, ALA582B, ALA611A, ALA611B, ALA622A, ALA622B, ALA688A, ALA688B, ALA720A, ALA720B, ARG206A, ARG206B, ARG322A, ARG322B, ARG383A, ARG383B, ARG400A, ARG400B, ARG426A, ARG426B, ARG441A, ARG441B, ARG442A, ARG442B, ARG463A, ARG463B, ARG488A, ARG488B, ARG561A, ARG561B, ARG566A, ARG566B, ARG585A, ARG585B, ARG601A, ARG601B, ARG604A, ARG604B, ARG629B, ARG706A, ARG706B, ARG726A, ARG726B, ASN232A, ASN232B, ASN375A, ASN375B, ASN435A, ASN435B, ASN470A, ASN470B, ASN509A, ASN509B, ASN595A, ASN595B, ASN618A, ASN618B, ASN693A, ASN693B, ASN699A, ASN699B, ASN709A, ASN709B, ASP180A, ASP180B, ASP222A, ASP222B, ASP403A, ASP403B, ASP427A, ASP427B, ASP446A, ASP446B, ASP472A, ASP472B, ASP476A, ASP476B, ASP543A, ASP543B, ASP690A, ASP690B, ASP712A, ASP712B, ASP714A, ASP714B, ASP721A, ASP721B, ASP728A, ASP728B, CYS404A, CYS404B, CYS430A, CYS430B, GLN219A, GLN219B, GLN262A, GLN262B, GLN315A, GLN315B, GLN319A, GLN319B, GLN355A, GLN355B, GLN434A, GLN434B, GLN436A, GLN436B, GLN510A, GLN510B, GLN558A, GLN558B, GLN560A, GLN560B, GLN563A, GLN563B, GLN606A, GLN606B, GLN617A, GLN617B, GLU246A, GLU246B, GLU433A, GLU433B, GLU457A, GLU457B, GLU486A, GLU486B, GLU513A, GLU513B, GLU542A, GLU542B, GLU556A, GLU556B, GLU613A, GLU613B, GLU628A, GLU628B, GLU689A, GLU689B, GLU713A, GLU713B, GLY217A, GLY217B, GLY228A, GLY228B, GLY235A, GLY235B, GLY237A, GLY237B, GLY297A, GLY297B, GLY298A, GLY298B, GLY309A, GLY309B, GLY320A, GLY320B, GLY373A, GLY373B, GLY374A, GLY374B, GLY401A, GLY401B, GLY437A, GLY437B, GLY453A, GLY453B, GLY454A, GLY454B, GLY483A, GLY483B, GLY493A, GLY493B, GLY505A, GLY505B, GLY508A, GLY508B, GLY517A, GLY517B, GLY580A, GLY580B, GLY598A, GLY598B, GLY602A, GLY602B, GLY612A, GLY612B, GLY681A, GLY681B, GLY698A, GLY698B, GLY700A, GLY700B, GLY727A, GLY727B, HIS443A, HIS443B, HIS444A, HIS444B, HIS450A, HIS450B, HIS480A, HIS480B, HIS514A, HIS514B, HIS520A, HIS520B, HIS522B, HIS557A, HIS557B, HIS599A, HIS599B, HIS684A, HIS684B, HIS687A, HIS687B, ILE233A, ILE233B, ILE371A, ILE371B, ILE425A, ILE425B, ILE485A, ILE485B, ILE685A, ILE685B, ILE691A, ILE691B, ILE723A, ILE723B, LEU177A, LEU177B, LEU208A, LEU208B, LEU218A, LEU218B, LEU229A, LEU229B, LEU240B, LEU248A, LEU248B, LEU302A, LEU302B, LEU314A, LEU314B, LEU334B, LEU369A, LEU369B, LEU398A, LEU398B, LEU407A, LEU407B, LEU438A, LEU438B, LEU440A, LEU440B, LEU447A, LEU447B, LEU455A, LEU455B, LEU460A, LEU460B, LEU468A, LEU468B, LEU469A, LEU469B, LEU500A, LEU500B, LEU516A, LEU516B, LEU559A, LEU559B, LEU562A, LEU562B, LEU587A, LEU608A, LEU608B, LEU615A, LEU615B, LEU683A, LEU683B, LEU705A, LEU705B, LYS263A, LYS263B, LYS303A, LYS303B, LYS506A, LYS506B, LYS596A, LYS596B, MET211A, MET211B, MET380A, MET380B, MET465A, MET465B, MET544A, MET544B, MET549A, MET549B, MET607A, MET607B, MET621A, MET621B, PHE173A, PHE173B, PHE184A, PHE184B, PHE227A, PHE227B, PHE238A, PHE238B, PHE239A, PHE239B, PHE265A, PHE265B, PHE316A, PHE316B, PHE323A, PHE323B, PHE354B, PHE432A, PHE432B, PHE452A, PHE452B, PHE479A, PHE489A, PHE489B, PHE501A, PHE501B, PHE546A, PHE546B, PHE610A, PHE610B, PHE625A, PHE625B, PHE682A, PHE682B, PHE703B, PHE704A, PHE704B, PHE710A, PHE710B, PHE711A, PHE711B, PHE717A, PHE717B, PHE725A, PHE725B, PRO305A, PRO305B, PRO307A, PRO307B, PRO308A, PRO308B, PRO310A, PRO310B, PRO312A, PRO312B, PRO313A, PRO313B, PRO318A, PRO318B, PRO321A, PRO321B, PRO377A, PRO377B, PRO397A, PRO397B, PRO405A, PRO405B, PRO439A, PRO439B, PRO481A, PRO481B, PRO548A, PRO548B, PRO552A, PRO552B, PRO555A, PRO555B, PRO584A, PRO584B, PRO600A, PRO600B, PRO614A, PRO614B, PRO616A, PRO616B, PRO686A, PRO686B, PRO692A, PRO692B, PRO707A, PRO707B, PRO715A, PRO715B, SER220A, SER220B, SER234A, SER234B, SER299A, SER299B, SER301A, SER301B, SER304A, SER304B, SER333A, SER333B, SER376A, SER376B, SER445A, SER445B, SER449A, SER449B, SER464A, SER464B, SER466A, SER466B, SER482A, SER482B, SER512A, SER512B, SER554A, SER554B, SER609A, SER609B, SER619A, SER619B, SER620A, SER620B, SER716A, SER716B, SER719A, SER719B, SER722A, SER722B, THR210A, THR210B, THR212A, THR212B, THR296A, THR296B, THR381A, THR381B, THR382A, THR382B, THR395A, THR395B, THR396A, THR396B, THR399A, THR399B, THR458A, THR458B, THR467A, THR467B, THR492A, THR492B, THR504A, THR504B, THR515A, THR515B, THR518A, THR518B, THR521A, THR521B, THR565A, THR565B, THR583B, THR694A, THR694B, THR696A, THR696B, TRP226A, TRP226B, TRP300A, TRP300B, TRP475A, TRP475B, TRP553A, TRP553B, TRP597A, TRP597B, TRP654A, TRP654B, TYR176A, TYR176B, TYR230A, TYR230B, TYR231A, TYR231B, TYR270A, TYR270B, TYR317A, TYR317B, TYR372A, TYR372B, TYR394A, TYR394B, TYR406A, TYR406B, TYR448A, TYR448B, TYR451A, TYR451B, TYR473A, TYR473B, TYR490A, TYR490B, TYR494A, TYR494B, TYR507A, TYR507B, TYR586A, TYR586B, TYR588A, TYR588B, TYR603A, TYR603B, TYR708A, TYR708B, TYR718A, TYR718B, TYR724A, TYR724B, VAL209A, VAL209B, VAL264A, VAL264B, VAL306A, VAL306B, VAL402A, VAL402B, VAL459A, VAL459B, VAL461A, VAL461B, VAL474A, VAL474B, VAL478A, VAL478B, VAL511A, VAL511B, VAL519A, VAL519B, VAL545A, VAL545B, VAL547A, VAL547B, VAL551A, VAL551B, VAL564A, VAL564B, VAL579A, VAL579B, VAL695A, VAL695B, VAL697A, VAL697B, VAL701A, VAL701B
• C-D: ALA224C, ALA224D, ALA236C, ALA236D, ALA311C, ALA311D, ALA370C, ALA370D, ALA378C, ALA378D, ALA379C, ALA379D, ALA428C, ALA428D, ALA456C, ALA456D, ALA484C, ALA484D, ALA491C, ALA491D, ALA503D, ALA541D, ALA550C, ALA550D, ALA582C, ALA582D, ALA611C, ALA611D, ALA622C, ALA622D, ALA688C, ALA688D, ALA720C, ALA720D, ARG206C, ARG206D, ARG322C, ARG322D, ARG383C, ARG383D, ARG400C, ARG400D, ARG426C, ARG426D, ARG441C, ARG441D, ARG442C, ARG442D, ARG463C, ARG463D, ARG488C, ARG488D, ARG561C, ARG561D, ARG566C, ARG566D, ARG585C, ARG585D, ARG601C, ARG601D, ARG604C, ARG604D, ARG629D, ARG706C, ARG706D, ARG726C, ARG726D, ASN232C, ASN232D, ASN375C, ASN375D, ASN435C, ASN435D, ASN470C, ASN470D, ASN509C, ASN509D, ASN595C, ASN595D, ASN618C, ASN618D, ASN693C, ASN693D, ASN699C, ASN699D, ASN709C, ASN709D, ASP180C, ASP180D, ASP222C, ASP222D, ASP403C, ASP403D, ASP427C, ASP427D, ASP446C, ASP446D, ASP472C, ASP472D, ASP476C, ASP476D, ASP543C, ASP543D, ASP690C, ASP690D, ASP712C, ASP712D, ASP714C, ASP714D, ASP721C, ASP721D, ASP728C, ASP728D, CYS404C, CYS404D, CYS430C, CYS430D, GLN219C, GLN219D, GLN262C, GLN262D, GLN315C, GLN315D, GLN319C, GLN319D, GLN355C, GLN355D, GLN434C, GLN434D, GLN436C, GLN436D, GLN510C, GLN510D, GLN558C, GLN558D, GLN560C, GLN560D, GLN563C, GLN563D, GLN606C, GLN606D, GLN617C, GLN617D, GLU246C, GLU433C, GLU433D, GLU457C, GLU457D, GLU486C, GLU486D, GLU513C, GLU513D, GLU542C, GLU542D, GLU556C, GLU556D, GLU613C, GLU613D, GLU628C, GLU628D, GLU689C, GLU689D, GLU713C, GLU713D, GLY217C, GLY217D, GLY228C, GLY235C, GLY235D, GLY237C, GLY237D, GLY297C, GLY297D, GLY298C, GLY298D, GLY309C, GLY309D, GLY320C, GLY320D, GLY373C, GLY373D, GLY374C, GLY374D, GLY401C, GLY401D, GLY437C, GLY437D, GLY453C, GLY453D, GLY454C, GLY454D, GLY483C, GLY483D, GLY493C, GLY493D, GLY505C, GLY505D, GLY508C, GLY508D, GLY517C, GLY517D, GLY580C, GLY580D, GLY598C, GLY598D, GLY602C, GLY602D, GLY612C, GLY612D, GLY681C, GLY681D, GLY698C, GLY698D, GLY700C, GLY700D, GLY727C, GLY727D, HIS443C, HIS443D, HIS444C, HIS444D, HIS450C, HIS450D, HIS480C, HIS480D, HIS514C, HIS514D, HIS520C, HIS520D, HIS522C, HIS557C, HIS557D, HIS599C, HIS599D, HIS684C, HIS684D, HIS687C, HIS687D, ILE183C, ILE233C, ILE233D, ILE371C, ILE371D, ILE425C, ILE425D, ILE485C, ILE485D, ILE685C, ILE685D, ILE691C, ILE691D, ILE723C, ILE723D, LEU177C, LEU177D, LEU208C, LEU208D, LEU218C, LEU218D, LEU229C, LEU240C, LEU248C, LEU248D, LEU302C, LEU302D, LEU314C, LEU314D, LEU334D, LEU369C, LEU369D, LEU398C, LEU398D, LEU407C, LEU407D, LEU438C, LEU438D, LEU440C, LEU440D, LEU447C, LEU447D, LEU455C, LEU455D, LEU460C, LEU460D, LEU468C, LEU468D, LEU469C, LEU469D, LEU500C, LEU500D, LEU516C, LEU516D, LEU559C, LEU559D, LEU562C, LEU562D, LEU587C, LEU587D, LEU608C, LEU608D, LEU615C, LEU615D, LEU683C, LEU683D, LEU705C, LEU705D, LYS263C, LYS263D, LYS303C, LYS303D, LYS506C, LYS506D, LYS596C, LYS596D, MET211C, MET211D, MET380C, MET380D, MET465C, MET465D, MET544C, MET544D, MET549C, MET549D, MET607C, MET607D, MET621C, MET621D, PHE173C, PHE173D, PHE184C, PHE184D, PHE227C, PHE227D, PHE238C, PHE238D, PHE239C, PHE239D, PHE265C, PHE265D, PHE316C, PHE316D, PHE323C, PHE323D, PHE354D, PHE432C, PHE432D, PHE452C, PHE452D, PHE479C, PHE479D, PHE489C, PHE489D, PHE501C, PHE501D, PHE546C, PHE546D, PHE610C, PHE610D, PHE625C, PHE625D, PHE682C, PHE682D, PHE703D, PHE704C, PHE704D, PHE710C, PHE710D, PHE711C, PHE711D, PHE717C, PHE717D, PHE725C, PHE725D, PRO305C, PRO305D, PRO307C, PRO307D, PRO308C, PRO308D, PRO310C, PRO310D, PRO312C, PRO312D, PRO313C, PRO313D, PRO318C, PRO318D, PRO321C, PRO321D, PRO377C, PRO377D, PRO397C, PRO397D, PRO405C, PRO405D, PRO439C, PRO439D, PRO481C, PRO481D, PRO548C, PRO548D, PRO552C, PRO552D, PRO555C, PRO555D, PRO584C, PRO584D, PRO600C, PRO600D, PRO614C, PRO614D, PRO616C, PRO616D, PRO686C, PRO686D, PRO692C, PRO692D, PRO707C, PRO707D, PRO715C, PRO715D, SER220C, SER220D, SER234C, SER234D, SER299C, SER299D, SER301C, SER301D, SER304C, SER304D, SER333C, SER333D, SER376C, SER376D, SER445C, SER445D, SER449C, SER449D, SER464C, SER464D, SER466C, SER466D, SER482C, SER482D, SER512C, SER512D, SER554C, SER554D, SER609C, SER609D, SER619C, SER619D, SER620C, SER620D, SER716C, SER716D, SER719C, SER719D, SER722C, SER722D, THR210C, THR210D, THR212C, THR212D, THR296C, THR296D, THR381C, THR381D, THR382C, THR382D, THR395C, THR395D, THR396C, THR396D, THR399C, THR399D, THR458C, THR458D, THR467C, THR467D, THR492C, THR492D, THR504C, THR504D, THR515C, THR515D, THR518C, THR518D, THR521C, THR521D, THR565C, THR565D, THR583D, THR694C, THR694D, THR696C, THR696D, TRP226C, TRP226D, TRP300C, TRP300D, TRP475C, TRP475D, TRP553C, TRP553D, TRP597C, TRP597D, TRP654C, TRP654D, TYR176C, TYR176D, TYR230C, TYR230D, TYR231C, TYR231D, TYR270C, TYR270D, TYR317C, TYR317D, TYR372C, TYR372D, TYR394C, TYR394D, TYR406C, TYR406D, TYR448C, TYR448D, TYR451C, TYR451D, TYR473C, TYR473D, TYR490C, TYR490D, TYR494C, TYR494D, TYR507C, TYR507D, TYR586C, TYR586D, TYR588C, TYR588D, TYR603C, TYR603D, TYR708C, TYR708D, TYR718C, TYR718D, TYR724C, TYR724D, VAL209C, VAL209D, VAL264C, VAL264D, VAL306C, VAL306D, VAL402C, VAL402D, VAL459C, VAL459D, VAL461C, VAL461D, VAL474C, VAL474D, VAL478C, VAL478D, VAL511C, VAL511D, VAL519C, VAL519D, VAL545C, VAL545D, VAL547C, VAL547D, VAL551C, VAL551D, VAL564C, VAL564D, VAL579C, VAL579D, VAL695C, VAL695D, VAL697C, VAL697D, VAL701C, VAL701D