2DV6

crystal structure of nitrite reductase from hyphomicrobium denitrificans

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 224
  • Norm. En. per Res.: -3.9515
• 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	-179.2712	-5.3197	-673.631	-858.2219	224	44	13	27163	2	41	36
A-C	-195.9685	-2.7336	-686.425	-885.1271	224	33	13	27205	2	42	36
A-D	-16.8148	1.5882	-117.631	-132.8576	53	3	5	4671	0	16	13
B-C	-176.9723	-1.4117	-669.458	-847.842	224	43	13	26899	2	43	36
B-F	-13.7513	1.5843	-115.384	-127.5509	52	1	5	4653	0	15	13
C-E	-11.6035	1.594	-117.533	-127.5425	54	2	5	4652	0	16	13
D-E	-172.4746	-4.6804	-684.284	-861.439	226	38	13	27178	2	42	36
D-F	-191.5732	-3.8091	-678.359	-873.7413	225	39	13	26910	2	42	36
E-F	-173.8495	-2.2426	-670.129	-846.2211	225	38	13	27253	2	43	36

Interface residues

• A-B: ALA226B, ALA232B, ALA233B, ALA234B, ALA250B, ALA25A, ALA261B, ALA398B, ALA408A, ALA417A, ALA445A, ALA85A, ALA86A, ALA89A, ALA96A, ARG165B, ARG407A, ARG410A, ARG420A, ARG87A, ASN271B, ASN320B, ASN359B, ASN436A, ASN68A, ASN71A, ASN92A, ASN95A, ASP222B, ASP239B, ASP314B, ASP372A, ASP406A, ASP415A, ASP437A, ASP78A, CYS260B, GLN237B, GLN311B, GLN389A, GLN66A, GLN76A, GLU172B, GLU206B, GLU298B, GLU310B, GLU312B, GLU316B, GLU321A, GLU321B, GLU324A, GLU369A, GLU422A, GLU442A, GLY225B, GLY228B, GLY230B, GLY231B, GLY254B, GLY354B, GLY356B, GLY357B, GLY368A, GLY378B, GLY387A, GLY396B, GLY397B, GLY409A, GLY443A, GLY93A, HIS208B, HIS224B, HIS259B, HIS268B, HIS365A, HIS373A, HIS416A, HIS423A, HIS441A, HIS77A, ILE252B, ILE255B, ILE269B, ILE319B, ILE367A, ILE370A, ILE386A, ILE405A, ILE412A, ILE439A, ILE90A, LEU207B, LEU216B, LEU251B, LEU276B, LEU277B, LEU318B, LEU377A, LEU377B, LEU385A, LEU385B, LEU418A, LEU421A, LEU69A, LYS249B, LYS303B, LYS317A, LYS317B, LYS322A, LYS322B, LYS404A, LYS435A, LYS94A, MET217B, MET313B, MET440A, PHE100A, PHE102A, PHE223B, PHE235B, PHE248B, PHE29A, PHE305A, PHE326A, PHE353B, PHE360A, PHE360B, PHE364A, PHE371A, PHE403A, PRO229B, PRO240B, PRO253B, PRO263B, PRO266B, PRO26A, PRO323A, PRO358B, PRO383A, PRO383B, PRO384A, PRO384B, PRO394B, PRO395B, PRO434A, PRO444A, SER101A, SER215B, SER264B, SER304A, SER362A, SER362B, SER363A, SER376A, SER376B, SER379B, SER382B, SER392A, SER392B, SER419A, SER438A, SER88A, SER97A, SER98A, THR163B, THR184B, THR204B, THR227B, THR236B, THR244B, THR247B, THR262B, THR267B, THR270B, THR301B, THR30A, THR361A, THR361B, THR390A, THR399A, THR399B, THR64A, THR99A, TRP186B, TYR183B, TYR256B, TYR258B, TYR274B, TYR300B, TYR315B, TYR375A, TYR375B, TYR411A, VAL103A, VAL164B, VAL205B, VAL218B, VAL245B, VAL246B, VAL257B, VAL265B, VAL279B, VAL27A, VAL28A, VAL302B, VAL355B, VAL366A, VAL374A, VAL380B, VAL381B, VAL388A, VAL391A, VAL393A, VAL393B, VAL401A, VAL414A, VAL431A, VAL45A, VAL65A, VAL67A, VAL70A, VAL79A, VAL80A, VAL91A
• A-C: ALA226A, ALA232A, ALA233A, ALA234A, ALA250A, ALA25C, ALA261A, ALA398A, ALA408C, ALA417C, ALA445C, ALA85C, ALA86C, ALA89C, ALA96C, ARG165A, ARG407C, ARG410C, ARG420C, ARG87C, ASN271A, ASN320A, ASN359A, ASN436C, ASN68C, ASN71C, ASN92C, ASN95C, ASP222A, ASP239A, ASP314A, ASP372C, ASP406C, ASP415C, ASP437C, ASP78C, CYS260A, GLN237A, GLN311A, GLN389C, GLN66C, GLN76C, GLU172A, GLU206A, GLU298A, GLU310A, GLU312A, GLU316A, GLU321A, GLU321C, GLU324C, GLU369C, GLU422C, GLU442C, GLY225A, GLY228A, GLY230A, GLY231A, GLY254A, GLY354A, GLY356A, GLY357A, GLY368C, GLY378A, GLY387C, GLY396A, GLY397A, GLY409C, GLY443C, GLY93C, HIS208A, HIS224A, HIS259A, HIS268A, HIS365C, HIS373C, HIS416C, HIS423C, HIS441C, HIS77C, ILE252A, ILE255A, ILE269A, ILE319A, ILE367C, ILE370C, ILE386C, ILE405C, ILE412C, ILE439C, ILE90C, LEU207A, LEU216A, LEU251A, LEU276A, LEU277A, LEU318A, LEU377A, LEU377C, LEU385A, LEU385C, LEU418C, LEU421C, LEU425C, LEU69C, LYS249A, LYS303A, LYS317A, LYS317C, LYS322A, LYS322C, LYS404C, LYS435C, LYS94C, MET217A, MET313A, MET440C, PHE100C, PHE102C, PHE223A, PHE235A, PHE248A, PHE29C, PHE305C, PHE326C, PHE353A, PHE360A, PHE360C, PHE364C, PHE371C, PHE403C, PRO229A, PRO240A, PRO253A, PRO263A, PRO266A, PRO26C, PRO323C, PRO358A, PRO383A, PRO383C, PRO384A, PRO384C, PRO394A, PRO395A, PRO434C, PRO444C, SER101C, SER215A, SER264A, SER304C, SER362C, SER363C, SER376A, SER376C, SER379A, SER382A, SER392A, SER392C, SER419C, SER438C, SER88C, SER97C, SER98C, THR163A, THR184A, THR204A, THR227A, THR236A, THR244A, THR247A, THR262A, THR267A, THR270A, THR301A, THR30C, THR361A, THR361C, THR390C, THR399A, THR399C, THR64C, THR99C, TRP186A, TYR183A, TYR256A, TYR258A, TYR274A, TYR300A, TYR315A, TYR375A, TYR375C, TYR411C, VAL103C, VAL164A, VAL205A, VAL218A, VAL245A, VAL246A, VAL257A, VAL265A, VAL279A, VAL27C, VAL28C, VAL302A, VAL355A, VAL366C, VAL374C, VAL380A, VAL381A, VAL388C, VAL391C, VAL393A, VAL393C, VAL401C, VAL414C, VAL431C, VAL45C, VAL65C, VAL67C, VAL70C, VAL79C, VAL80C, VAL91C
• A-D: ALA117A, ALA117D, ALA122A, ALA122D, ALA36A, ALA36D, ALA75A, ALA75D, ARG120A, ARG120D, ARG39A, ARG39D, ASN71A, ASN71D, ASN92A, ASN92D, GLN121A, GLN121D, GLN76A, GLN76D, GLU37A, GLU37D, GLU73A, GLU73D, GLY118A, GLY118D, GLY123A, GLY123D, GLY34A, GLY34D, GLY38A, GLY38D, GLY72A, GLY72D, GLY74A, GLY74D, GLY93A, GLY93D, HIS119A, HIS119D, HIS77A, HIS77D, ILE116A, ILE116D, ILE35A, ILE35D, LYS94A, LYS94D, MET40A, MET40D, THR33D, VAL41A, VAL41D
• B-C: ALA226C, ALA232C, ALA233C, ALA234C, ALA250C, ALA25B, ALA261C, ALA398C, ALA408B, ALA417B, ALA445B, ALA85B, ALA86B, ALA89B, ALA96B, ARG165C, ARG407B, ARG410B, ARG420B, ARG87B, ASN271C, ASN320C, ASN359C, ASN436B, ASN68B, ASN71B, ASN92B, ASN95B, ASP222C, ASP239C, ASP314C, ASP372B, ASP406B, ASP415B, ASP437B, ASP78B, CYS260C, GLN237C, GLN311C, GLN389B, GLN66B, GLN76B, GLU172C, GLU206C, GLU298C, GLU310C, GLU312C, GLU316C, GLU321B, GLU321C, GLU324B, GLU369B, GLU422B, GLU442B, GLY225C, GLY228C, GLY230C, GLY231C, GLY254C, GLY354C, GLY356C, GLY357C, GLY368B, GLY378C, GLY387B, GLY396C, GLY397C, GLY409B, GLY443B, GLY93B, HIS208C, HIS224C, HIS259C, HIS268C, HIS365B, HIS373B, HIS416B, HIS423B, HIS441B, HIS77B, ILE252C, ILE255C, ILE269C, ILE319C, ILE367B, ILE370B, ILE386B, ILE405B, ILE412B, ILE439B, ILE90B, LEU207C, LEU216C, LEU251C, LEU276C, LEU277C, LEU318C, LEU31B, LEU377B, LEU377C, LEU385B, LEU385C, LEU418B, LEU421B, LEU69B, LYS249C, LYS303C, LYS317B, LYS317C, LYS322B, LYS322C, LYS404B, LYS435B, LYS94B, MET217C, MET313C, MET440B, PHE100B, PHE102B, PHE223C, PHE235C, PHE248C, PHE29B, PHE305B, PHE326B, PHE353C, PHE360B, PHE360C, PHE364B, PHE371B, PHE403B, PRO229C, PRO240C, PRO253C, PRO263C, PRO266C, PRO26B, PRO323B, PRO358C, PRO383B, PRO383C, PRO384B, PRO384C, PRO394C, PRO395C, PRO434B, PRO444B, SER101B, SER215C, SER264C, SER304B, SER362B, SER363B, SER376B, SER376C, SER379C, SER382C, SER392B, SER392C, SER419B, SER438B, SER88B, SER97B, SER98B, THR163C, THR184C, THR204C, THR227C, THR236C, THR244C, THR247C, THR262C, THR267C, THR270C, THR301C, THR30B, THR361B, THR361C, THR390B, THR399B, THR399C, THR64B, THR99B, TRP186C, TYR183C, TYR256C, TYR258C, TYR274C, TYR300C, TYR315C, TYR375B, TYR375C, TYR411B, VAL103B, VAL164C, VAL205C, VAL218C, VAL245C, VAL246C, VAL257C, VAL265C, VAL279C, VAL27B, VAL28B, VAL302C, VAL355C, VAL366B, VAL374B, VAL380C, VAL381C, VAL388B, VAL391B, VAL393B, VAL393C, VAL401B, VAL414B, VAL431B, VAL45B, VAL65B, VAL67B, VAL70B, VAL79B, VAL80B, VAL91B
• B-F: ALA117B, ALA117F, ALA122B, ALA122F, ALA36B, ALA36F, ALA75B, ALA75F, ARG120B, ARG120F, ARG39B, ARG39F, ASN71B, ASN71F, ASN92B, ASN92F, GLN121B, GLN121F, GLN76B, GLN76F, GLU37B, GLU37F, GLU73B, GLU73F, GLY118B, GLY118F, GLY123B, GLY123F, GLY34B, GLY34F, GLY38B, GLY38F, GLY72B, GLY72F, GLY74B, GLY74F, GLY93B, GLY93F, HIS119B, HIS119F, HIS77B, HIS77F, ILE116B, ILE116F, ILE35B, ILE35F, LYS94B, LYS94F, MET40B, MET40F, VAL41B, VAL41F
• C-E: ALA117C, ALA117E, ALA122C, ALA122E, ALA36C, ALA36E, ALA75C, ALA75E, ARG120C, ARG120E, ARG39C, ARG39E, ASN71C, ASN71E, ASN92C, ASN92E, GLN121C, GLN121E, GLN76C, GLN76E, GLU37C, GLU37E, GLU73C, GLU73E, GLY118C, GLY118E, GLY123C, GLY123E, GLY34C, GLY34E, GLY38C, GLY38E, GLY72C, GLY72E, GLY74C, GLY74E, GLY93C, GLY93E, HIS119C, HIS119E, HIS77C, HIS77E, ILE116C, ILE116E, ILE35C, ILE35E, LYS94C, LYS94E, MET40C, MET40E, THR33E, VAL41C, VAL41E, VAL91E
• D-E: ALA226E, ALA232E, ALA233E, ALA234E, ALA250E, ALA25D, ALA261E, ALA398E, ALA408D, ALA417D, ALA445D, ALA85D, ALA86D, ALA89D, ALA96D, ARG165E, ARG407D, ARG410D, ARG420D, ARG87D, ASN271E, ASN320E, ASN359E, ASN436D, ASN68D, ASN71D, ASN92D, ASN95D, ASP222E, ASP239E, ASP314E, ASP372D, ASP406D, ASP415D, ASP437D, ASP78D, CYS260E, GLN237E, GLN311E, GLN389D, GLN66D, GLN76D, GLU172E, GLU206E, GLU243E, GLU298E, GLU310E, GLU312E, GLU316E, GLU321D, GLU321E, GLU324D, GLU369D, GLU422D, GLU442D, GLY225E, GLY228E, GLY230E, GLY231E, GLY254E, GLY354E, GLY356E, GLY357E, GLY368D, GLY378E, GLY387D, GLY396E, GLY397E, GLY409D, GLY443D, GLY93D, HIS208E, HIS224E, HIS259E, HIS268E, HIS365D, HIS373D, HIS416D, HIS423D, HIS441D, HIS77D, ILE252E, ILE255E, ILE269E, ILE319E, ILE367D, ILE370D, ILE386D, ILE405D, ILE412D, ILE439D, ILE90D, LEU207E, LEU216E, LEU251E, LEU276E, LEU277E, LEU318E, LEU31D, LEU377D, LEU377E, LEU385D, LEU385E, LEU418D, LEU421D, LEU425D, LEU69D, LYS249E, LYS303E, LYS317D, LYS317E, LYS322D, LYS322E, LYS404D, LYS435D, LYS94D, MET217E, MET313E, MET440D, PHE100D, PHE102D, PHE223E, PHE235E, PHE248E, PHE29D, PHE305D, PHE326D, PHE353E, PHE360D, PHE360E, PHE364D, PHE371D, PHE403D, PRO229E, PRO240E, PRO253E, PRO263E, PRO266E, PRO26D, PRO323D, PRO358E, PRO383D, PRO383E, PRO384D, PRO384E, PRO394E, PRO395E, PRO434D, PRO444D, SER101D, SER215E, SER264E, SER304D, SER362D, SER363D, SER376D, SER376E, SER379E, SER382E, SER392D, SER392E, SER419D, SER438D, SER88D, SER97D, SER98D, THR163E, THR184E, THR204E, THR227E, THR236E, THR244E, THR247E, THR262E, THR267E, THR270E, THR301E, THR30D, THR361D, THR361E, THR390D, THR399D, THR399E, THR64D, THR99D, TRP186E, TYR183E, TYR256E, TYR258E, TYR274E, TYR300E, TYR315E, TYR375D, TYR375E, TYR411D, VAL103D, VAL164E, VAL205E, VAL218E, VAL245E, VAL246E, VAL257E, VAL265E, VAL279E, VAL27D, VAL28D, VAL302E, VAL355E, VAL366D, VAL374D, VAL380E, VAL381E, VAL388D, VAL391D, VAL393D, VAL393E, VAL401D, VAL414D, VAL431D, VAL45D, VAL65D, VAL67D, VAL70D, VAL79D, VAL80D, VAL91D
• D-F: ALA226D, ALA232D, ALA233D, ALA234D, ALA250D, ALA25F, ALA261D, ALA398D, ALA408F, ALA417F, ALA445F, ALA85F, ALA86F, ALA89F, ALA96F, ARG165D, ARG407F, ARG410F, ARG420F, ARG87F, ASN271D, ASN320D, ASN359D, ASN436F, ASN68F, ASN71F, ASN92F, ASN95F, ASP222D, ASP239D, ASP314D, ASP372F, ASP406F, ASP415F, ASP437F, ASP78F, CYS260D, GLN237D, GLN311D, GLN389F, GLN66F, GLN76F, GLU172D, GLU206D, GLU298D, GLU310D, GLU312D, GLU316D, GLU321D, GLU321F, GLU324F, GLU369F, GLU422F, GLU442F, GLY225D, GLY228D, GLY230D, GLY231D, GLY254D, GLY354D, GLY356D, GLY357D, GLY368F, GLY378D, GLY387F, GLY396D, GLY397D, GLY409F, GLY443F, GLY93F, HIS208D, HIS224D, HIS259D, HIS268D, HIS365F, HIS373F, HIS416F, HIS423F, HIS441F, HIS77F, ILE252D, ILE255D, ILE269D, ILE319D, ILE367F, ILE370F, ILE386F, ILE405F, ILE412F, ILE439F, ILE90F, LEU207D, LEU216D, LEU251D, LEU276D, LEU277D, LEU318D, LEU377D, LEU377F, LEU385D, LEU385F, LEU418F, LEU421F, LEU69F, LYS249D, LYS303D, LYS317D, LYS317F, LYS322D, LYS322F, LYS404F, LYS435F, LYS94F, MET217D, MET313D, MET440F, PHE100F, PHE102F, PHE223D, PHE235D, PHE248D, PHE29F, PHE305F, PHE326F, PHE353D, PHE360D, PHE360F, PHE364F, PHE371F, PHE403F, PRO229D, PRO240D, PRO253D, PRO263D, PRO266D, PRO26F, PRO323F, PRO358D, PRO383D, PRO383F, PRO384D, PRO384F, PRO394D, PRO395D, PRO434F, PRO444F, SER101F, SER215D, SER264D, SER304F, SER362D, SER362F, SER363F, SER376D, SER376F, SER379D, SER382D, SER392D, SER392F, SER419F, SER438F, SER88F, SER97F, SER98F, THR163D, THR184D, THR204D, THR227D, THR236D, THR244D, THR247D, THR262D, THR267D, THR270D, THR301D, THR30F, THR361D, THR361F, THR390F, THR399D, THR399F, THR64F, THR99F, TRP186D, TYR183D, TYR256D, TYR258D, TYR274D, TYR300D, TYR315D, TYR375D, TYR375F, TYR411F, VAL103F, VAL164D, VAL205D, VAL218D, VAL221D, VAL245D, VAL246D, VAL257D, VAL265D, VAL279D, VAL27F, VAL28F, VAL302D, VAL355D, VAL366F, VAL374F, VAL380D, VAL381D, VAL388F, VAL391F, VAL393D, VAL393F, VAL401F, VAL414F, VAL431F, VAL45F, VAL65F, VAL67F, VAL70F, VAL79F, VAL80F, VAL91F
• E-F: ALA226F, ALA232F, ALA233F, ALA234F, ALA250F, ALA25E, ALA261F, ALA398F, ALA408E, ALA417E, ALA445E, ALA85E, ALA86E, ALA89E, ALA96E, ARG165F, ARG407E, ARG410E, ARG420E, ARG87E, ASN271F, ASN320F, ASN359F, ASN436E, ASN68E, ASN71E, ASN92E, ASN95E, ASP222F, ASP239F, ASP314F, ASP372E, ASP406E, ASP415E, ASP437E, ASP78E, CYS260F, GLN237F, GLN311F, GLN389E, GLN66E, GLN76E, GLU172F, GLU206F, GLU298F, GLU310F, GLU312F, GLU316F, GLU321E, GLU321F, GLU324E, GLU369E, GLU422E, GLU442E, GLY225F, GLY228F, GLY230F, GLY231F, GLY254F, GLY354F, GLY356F, GLY357F, GLY368E, GLY378F, GLY387E, GLY396F, GLY397F, GLY409E, GLY424E, GLY443E, GLY93E, HIS208F, HIS224F, HIS259F, HIS268F, HIS365E, HIS373E, HIS416E, HIS423E, HIS441E, HIS77E, ILE252F, ILE255F, ILE269F, ILE319F, ILE367E, ILE370E, ILE386E, ILE405E, ILE412E, ILE439E, ILE90E, LEU207F, LEU216F, LEU251F, LEU276F, LEU277F, LEU318F, LEU377E, LEU377F, LEU385E, LEU385F, LEU418E, LEU421E, LEU69E, LYS249F, LYS303F, LYS317E, LYS317F, LYS322E, LYS322F, LYS404E, LYS435E, LYS94E, MET217F, MET313F, MET440E, PHE100E, PHE102E, PHE223F, PHE235F, PHE248F, PHE305E, PHE326E, PHE353F, PHE360E, PHE360F, PHE364E, PHE371E, PHE403E, PRO229F, PRO240F, PRO253F, PRO263F, PRO266F, PRO26E, PRO323E, PRO358F, PRO383E, PRO383F, PRO384E, PRO384F, PRO394F, PRO395F, PRO434E, PRO444E, SER101E, SER215F, SER264F, SER304E, SER362E, SER362F, SER363E, SER376E, SER376F, SER379F, SER382F, SER392E, SER392F, SER419E, SER438E, SER88E, SER97E, SER98E, THR163F, THR184F, THR204F, THR227F, THR236F, THR244F, THR247F, THR262F, THR267F, THR270F, THR301F, THR30E, THR361E, THR361F, THR390E, THR399E, THR399F, THR64E, THR99E, TRP186F, TYR183F, TYR256F, TYR258F, TYR274F, TYR300F, TYR315F, TYR375E, TYR375F, TYR411E, TYR84E, VAL103E, VAL164F, VAL205F, VAL218F, VAL245F, VAL246F, VAL257F, VAL265F, VAL279F, VAL27E, VAL28E, VAL302F, VAL355F, VAL366E, VAL374E, VAL380F, VAL381F, VAL388E, VAL391E, VAL393E, VAL393F, VAL401E, VAL414E, VAL431E, VAL45E, VAL65E, VAL67E, VAL70E, VAL79E, VAL80E, VAL91E