1QAK

the active site base controls cofactor reactivity in escherichia coli amine oxidase : x-ray crystallographic studies with mutational variants

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 597
  • Norm. En. per Res.: -5.0896
• 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	-622.8388	-233.1113	-2182.53	-3038.4801	597	134	24	81685	33	203	180

Interface residues

• A-B: ALA193A, ALA193B, ALA27A, ALA27B, ALA300A, ALA300B, ALA302A, ALA302B, ALA380A, ALA380B, ALA397A, ALA397B, ALA402A, ALA402B, ALA406A, ALA406B, ALA434A, ALA434B, ALA45A, ALA45B, ALA486A, ALA486B, ALA48A, ALA48B, ALA497A, ALA497B, ALA505A, ALA505B, ALA555A, ALA555B, ALA609A, ALA609B, ALA616A, ALA616B, ALA619A, ALA619B, ALA622A, ALA622B, ALA691A, ALA691B, ALA693A, ALA693B, ALA722A, ALA722B, ARG291A, ARG291B, ARG296A, ARG296B, ARG298A, ARG298B, ARG326A, ARG326B, ARG354A, ARG354B, ARG398A, ARG398B, ARG425A, ARG425B, ARG432A, ARG432B, ARG452A, ARG452B, ARG453A, ARG453B, ARG458A, ARG458B, ARG510A, ARG510B, ARG559A, ARG559B, ARG586A, ARG586B, ARG596A, ARG596B, ARG692A, ARG692B, ASN255A, ASN255B, ASN315A, ASN315B, ASN327A, ASN327B, ASN350A, ASN350B, ASN405A, ASN405B, ASN447A, ASN447B, ASN465A, ASN465B, ASN477A, ASN477B, ASN518A, ASN518B, ASN51A, ASN51B, ASN553A, ASN553B, ASN566A, ASN566B, ASN595A, ASN595B, ASN599A, ASN599B, ASN712A, ASN712B, ASP190A, ASP190B, ASP231A, ASP234A, ASP234B, ASP24A, ASP24B, ASP25A, ASP25B, ASP294A, ASP294B, ASP297A, ASP297B, ASP371A, ASP371B, ASP373A, ASP373B, ASP401A, ASP401B, ASP467A, ASP467B, ASP471A, ASP471B, ASP502A, ASP502B, ASP516A, ASP516B, ASP547A, ASP547B, ASP581A, ASP581B, ASP624A, ASP624B, ASP715A, ASP715B, ASP726B, ASP84A, ASP84B, GLN22A, GLN22B, GLN28A, GLN28B, GLN307A, GLN307B, GLN441A, GLN441B, GLN445A, GLN445B, GLN46A, GLN46B, GLN525A, GLN525B, GLN53A, GLN53B, GLN564A, GLN564B, GLN567A, GLN567B, GLN604A, GLN604B, GLN620A, GLN620B, GLN85A, GLN85B, GLU279A, GLU279B, GLU310A, GLU310B, GLU312A, GLU312B, GLU431A, GLU431B, GLU437A, GLU437B, GLU442A, GLU442B, GLU451A, GLU451B, GLU454A, GLU454B, GLU476A, GLU476B, GLU594A, GLU594B, GLU625A, GLU625B, GLU694A, GLU694B, GLU695A, GLU695B, GLU702A, GLU702B, GLU716A, GLU716B, GLY232A, GLY232B, GLY235A, GLY235B, GLY254A, GLY254B, GLY295A, GLY295B, GLY313A, GLY313B, GLY36A, GLY36B, GLY370A, GLY370B, GLY399A, GLY399B, GLY435A, GLY435B, GLY444A, GLY444B, GLY44A, GLY44B, GLY464A, GLY464B, GLY478A, GLY478B, GLY485A, GLY485B, GLY488A, GLY488B, GLY512A, GLY512B, GLY52A, GLY52B, GLY556A, GLY556B, GLY557A, GLY557B, GLY583A, GLY583B, GLY598A, GLY598B, GLY610A, GLY610B, GLY611A, GLY611B, GLY618A, GLY618B, GLY721A, GLY721B, HIS440A, HIS440B, HIS475A, HIS475B, HIS501A, HIS501B, HIS517A, HIS517B, HIS524A, HIS524B, HIS526A, HIS526B, HIS613A, HIS613B, HIS689A, HIS689B, HIS705A, HIS705B, ILE221A, ILE221B, ILE308A, ILE308B, ILE309A, ILE309B, ILE33A, ILE33B, ILE374A, ILE374B, ILE396A, ILE396B, ILE460A, ILE460B, ILE469A, ILE469B, ILE489A, ILE489B, ILE49A, ILE49B, ILE515A, ILE515B, ILE519A, ILE519B, ILE527A, ILE527B, ILE585A, ILE585B, ILE606A, ILE606B, ILE627A, ILE627B, ILE698A, ILE698B, LEU188A, LEU188B, LEU189A, LEU189B, LEU236A, LEU29A, LEU29B, LEU392A, LEU392B, LEU455A, LEU514A, LEU514B, LEU55A, LEU55B, LEU57A, LEU57B, LEU587A, LEU587B, LEU707A, LEU707B, LEU708A, LEU708B, LEU720A, LEU720B, LEU723A, LEU723B, LEU83A, LEU83B, LYS233A, LYS233B, LYS244A, LYS244B, LYS277A, LYS304A, LYS304B, LYS314A, LYS314B, LYS379A, LYS379B, LYS400A, LYS400B, LYS40A, LYS40B, LYS42A, LYS42B, LYS439A, LYS439B, LYS493A, LYS493B, LYS498A, LYS498B, LYS506B, LYS551A, LYS551B, LYS617A, LYS617B, LYS709A, LYS709B, LYS724A, LYS724B, LYS725B, MET306A, MET306B, MET443A, MET443B, MET500A, MET500B, MET546A, MET546B, MET563A, MET563B, MET597A, MET597B, MET634A, MET634B, MET699A, MET699B, PHE192A, PHE192B, PHE230A, PHE230B, PHE293A, PHE293B, PHE30A, PHE30B, PHE378A, PHE378B, PHE430A, PHE430B, PHE580A, PHE580B, PHE621A, PHE621B, PHE713A, PHE713B, PHE714A, PHE714B, PRO224A, PRO224B, PRO292A, PRO292B, PRO301A, PRO301B, PRO305A, PRO305B, PRO311A, PRO311B, PRO368A, PRO368B, PRO372A, PRO372B, PRO395A, PRO395B, PRO403A, PRO403B, PRO436A, PRO436B, PRO43A, PRO43B, PRO446A, PRO446B, PRO548A, PRO548B, PRO54A, PRO54B, PRO552A, PRO552B, PRO558A, PRO558B, PRO582A, PRO582B, PRO600A, PRO600B, PRO60B, PRO614A, PRO614B, PRO623A, PRO623B, PRO697A, PRO697B, PRO700A, PRO700B, PRO710A, PRO710B, PRO718A, PRO718B, SER394A, SER394B, SER404A, SER404B, SER449A, SER449B, SER461A, SER461B, SER561A, SER561B, SER602A, SER602B, THR223A, THR289A, THR289B, THR317A, THR317B, THR31A, THR31B, THR391B, THR393A, THR393B, THR450A, THR450B, THR462A, THR462B, THR479A, THR479B, THR47A, THR47B, THR487A, THR487B, THR499A, THR499B, THR509A, THR509B, THR513A, THR513B, THR522A, THR522B, THR523A, THR523B, THR554A, THR554B, THR560A, THR560B, THR562A, THR562B, THR584A, THR584B, THR612A, THR612B, THR687A, THR687B, THR688A, THR688B, THR701A, THR701B, THR706A, THR706B, THR717A, THR717B, THR719A, THR719B, THR86A, THR86B, TRP23A, TRP23B, TRP257A, TRP257B, TRP325A, TRP325B, TRP376A, TRP376B, TRP459A, TRP459B, TRP626A, TRP626B, TRP696A, TRP696B, TRP703A, TRP703B, TRP711A, TRP711B, TYR229A, TYR229B, TYR256A, TYR256B, TYR26A, TYR26B, TYR316A, TYR316B, TYR347B, TYR369A, TYR369B, TYR377A, TYR377B, TYR387B, TYR38A, TYR38B, TYR433A, TYR433B, TYR438A, TYR438B, TYR468A, TYR468B, TYR511A, TYR511B, TYR603A, TYR603B, TYR608A, TYR608B, TYR628A, TYR628B, VAL187B, VAL299A, VAL299B, VAL303A, VAL303B, VAL367A, VAL367B, VAL39A, VAL39B, VAL41A, VAL41B, VAL448A, VAL448B, VAL456A, VAL456B, VAL463A, VAL463B, VAL520A, VAL520B, VAL549A, VAL549B, VAL550A, VAL550B, VAL565A, VAL565B, VAL601A, VAL601B, VAL615A, VAL615B, VAL61A, VAL61B, VAL690A, VAL690B, VAL704A, VAL704B