3HIG

crystal structure of human diamine oxidase in complex with the inhibitor berenil

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 630
  • Norm. En. per Res.: -4.3473
• 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	-415.0705	-294.2732	-2029.44	-2738.7837	630	83	30	96498	26	168	182

Interface residues

• A-B: ALA193A, ALA193B, ALA365A, ALA365B, ALA386A, ALA386B, ALA395A, ALA395B, ALA415A, ALA415B, ALA443A, ALA443B, ALA481A, ALA481B, ALA601A, ALA601B, ALA686A, ALA686B, ALA709A, ALA709B, ARG190A, ARG190B, ARG198A, ARG198B, ARG288A, ARG288B, ARG301A, ARG301B, ARG309A, ARG309B, ARG311A, ARG311B, ARG414A, ARG414B, ARG428A, ARG428B, ARG429A, ARG429B, ARG453A, ARG453B, ARG496A, ARG496B, ARG500A, ARG500B, ARG546A, ARG546B, ARG548A, ARG548B, ARG591A, ARG591B, ARG594A, ARG594B, ARG697A, ARG697B, ARG711A, ARG711B, ARG719A, ARG728A, ARG728B, ARG734A, ARG734B, ARG749A, ARG749B, ASN432A, ASN432B, ASN434A, ASN434B, ASN440A, ASN440B, ASN460A, ASN460B, ASN472A, ASN472B, ASN508A, ASN508B, ASN538A, ASN538B, ASN541A, ASN541B, ASN585A, ASN585B, ASN684A, ASN684B, ASN690A, ASN690B, ASN700A, ASN700B, ASN724A, ASN724B, ASN745A, ASN745B, ASP290A, ASP290B, ASP390A, ASP390B, ASP462A, ASP462B, ASP466A, ASP466B, ASP602A, ASP602B, ASP681A, ASP681B, ASP705A, ASP705B, ASP712A, ASP712B, ASP733A, ASP733B, ASP735A, ASP735B, CYS391A, CYS391B, CYS417B, CYS736A, CYS736B, GLN196A, GLN196B, GLN235A, GLN235B, GLN304A, GLN304B, GLN368A, GLN368B, GLN448A, GLN448B, GLN530A, GLN533A, GLN533B, GLN551A, GLN551B, GLN556A, GLN556B, GLN596A, GLN596B, GLN603A, GLN603B, GLN610A, GLN610B, GLN727A, GLN727B, GLU208A, GLU208B, GLU234A, GLU234B, GLU344A, GLU344B, GLU384A, GLU384B, GLU393A, GLU393B, GLU420A, GLU420B, GLU476A, GLU476B, GLU537A, GLU537B, GLU555A, GLU555B, GLU611A, GLU611B, GLU612A, GLU612B, GLU680A, GLU680B, GLU704A, GLU704B, GLU732A, GLU732B, GLY191A, GLY191B, GLY209A, GLY209B, GLY289A, GLY289B, GLY299A, GLY299B, GLY307A, GLY307B, GLY320A, GLY320B, GLY321A, GLY321B, GLY342A, GLY342B, GLY343A, GLY343B, GLY360A, GLY360B, GLY361A, GLY361B, GLY366A, GLY366B, GLY388A, GLY388B, GLY424A, GLY424B, GLY437A, GLY437B, GLY438A, GLY438B, GLY444A, GLY444B, GLY447A, GLY447B, GLY473A, GLY473B, GLY483A, GLY483B, GLY494A, GLY494B, GLY498A, GLY498B, GLY507A, GLY507B, GLY588A, GLY588B, GLY672A, GLY689A, GLY689B, GLY746A, GLY746B, HIS285A, HIS285B, HIS296A, HIS296B, HIS306A, HIS306B, HIS340A, HIS340B, HIS362A, HIS362B, HIS383A, HIS383B, HIS430A, HIS430B, HIS480A, HIS480B, HIS497A, HIS497B, HIS502A, HIS502B, HIS504A, HIS504B, HIS510A, HIS510B, HIS512B, HIS547A, HIS547B, HIS589A, HIS589B, HIS598A, HIS598B, HIS675A, HIS675B, HIS678A, HIS678B, ILE295A, ILE295B, ILE389A, ILE389B, ILE464A, ILE464B, ILE468A, ILE468B, ILE506A, ILE506B, ILE509A, ILE509B, ILE539A, ILE539B, ILE597A, ILE597B, ILE676A, ILE676B, ILE682A, ILE682B, ILE715A, ILE715B, ILE730A, ILE730B, LEU220A, LEU220B, LEU281A, LEU281B, LEU302A, LEU302B, LEU318A, LEU318B, LEU358A, LEU358B, LEU385A, LEU385B, LEU427A, LEU427B, LEU445A, LEU445B, LEU450A, LEU495A, LEU495B, LEU501A, LEU501B, LEU505A, LEU505B, LEU513A, LEU532A, LEU532B, LEU536A, LEU536B, LEU554A, LEU554B, LEU573B, LEU577B, LEU578A, LEU578B, LEU595B, LEU605A, LEU605B, LEU674A, LEU674B, LEU695A, LEU695B, LEU708A, LEU708B, LYS286A, LYS286B, LYS370A, LYS370B, LYS436A, LYS436B, LYS446A, LYS446B, LYS478A, LYS478B, LYS535A, LYS535B, LYS572A, LYS572B, LYS575A, LYS575B, LYS590A, LYS590B, MET367A, MET367B, MET421A, MET421B, MET475A, MET475B, MET479A, MET479B, MET534A, MET534B, MET600A, MET600B, MET738A, MET738B, PHE211A, PHE211B, PHE242A, PHE242B, PHE282A, PHE282B, PHE291A, PHE291B, PHE310A, PHE310B, PHE341A, PHE341B, PHE419A, PHE419B, PHE431A, PHE431B, PHE435A, PHE435B, PHE439A, PHE439B, PHE441A, PHE441B, PHE569A, PHE673A, PHE673B, PHE699A, PHE699B, PHE701A, PHE701B, PHE702A, PHE702B, PHE742A, PHE742B, PRO189A, PRO189B, PRO280A, PRO280B, PRO287A, PRO287B, PRO292A, PRO292B, PRO294A, PRO294B, PRO300A, PRO300B, PRO305A, PRO305B, PRO308A, PRO308B, PRO364A, PRO364B, PRO387A, PRO387B, PRO392A, PRO392B, PRO413A, PRO413B, PRO422A, PRO422B, PRO426A, PRO426B, PRO471A, PRO471B, PRO542A, PRO542B, PRO545A, PRO545B, PRO552A, PRO552B, PRO574A, PRO574B, PRO586A, PRO586B, PRO606A, PRO606B, PRO607A, PRO607B, PRO677A, PRO677B, PRO683A, PRO683B, PRO688A, PRO688B, PRO698A, PRO698B, PRO703A, PRO703B, PRO706A, PRO706B, PRO718A, PRO718B, PRO723A, PRO723B, PRO731A, PRO731B, PRO739A, PRO739B, PRO740A, PRO740B, PRO741A, PRO741B, PRO750A, PRO750B, SER199A, SER199B, SER283A, SER283B, SER284A, SER284B, SER293A, SER293B, SER298A, SER298B, SER323A, SER323B, SER433A, SER433B, SER456A, SER456B, SER544A, SER544B, SER592A, SER592B, SER599A, SER599B, SER679A, SER679B, SER691A, SER691B, SER707A, SER707B, SER710A, SER710B, SER737A, SER737B, SER743A, SER743B, THR145A, THR145B, THR185B, THR363A, THR363B, THR369A, THR369B, THR382A, THR382B, THR394A, THR394B, THR423A, THR423B, THR454A, THR454B, THR455A, THR455B, THR457A, THR457B, THR482A, THR482B, THR499A, THR499B, THR503A, THR503B, THR511A, THR511B, THR531A, THR531B, THR540A, THR540B, THR553A, THR553B, THR685A, THR685B, THR687A, THR687B, THR713A, THR713B, THR747A, THR747B, TRP200A, TRP200B, TRP237A, TRP237B, TRP322A, TRP322B, TRP376A, TRP376B, TRP543A, TRP543B, TRP587A, TRP587B, TRP609A, TRP609B, TRP644A, TRP644B, TRP717A, TRP717B, TRP729A, TRP729B, TYR148A, TYR148B, TYR152A, TYR152B, TYR206A, TYR206B, TYR210A, TYR210B, TYR319A, TYR319B, TYR359A, TYR359B, TYR412A, TYR412B, TYR442A, TYR442B, TYR459A, TYR459B, TYR463A, TYR463B, TYR470A, TYR470B, TYR484A, TYR484B, TYR490A, TYR490B, TYR576A, TYR576B, TYR593A, TYR593B, TYR725A, TYR725B, TYR744A, TYR744B, TYR748A, TYR748B, VAL192A, VAL192B, VAL207A, VAL207B, VAL236A, VAL236B, VAL297A, VAL297B, VAL303A, VAL303B, VAL317A, VAL317B, VAL381A, VAL381B, VAL410A, VAL410B, VAL425A, VAL425B, VAL449A, VAL449B, VAL451A, VAL451B, VAL458A, VAL458B, VAL474A, VAL474B, VAL549A, VAL549B, VAL550A, VAL550B, VAL604A, VAL604B, VAL692A, VAL692B, VAL714A, VAL714B, VAL716A, VAL716B, VAL726A, VAL726B