1QGU

nitrogenase mo-fe protein from klebsiella pneumoniae, dithionite-reduced state

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 250
  • Norm. En. per Res.: -4.4098
• Hub Node: A(2)

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	-214.7629	-60.348	-1316.5	-1591.6109	401	49	37	52100	17	93	95
A-D	-31.2684	-52.0064	-311.674	-394.9488	133	8	7	12438	4	30	31
B-C	-40.5768	-52.3028	-306.63	-399.5096	132	11	7	12352	4	28	30
B-D	-228.6784	-68.4378	-805.327	-1102.4432	250	29	12	29747	18	139	137
C-D	-237.9404	-71.875	-1311.59	-1621.4054	402	43	38	52292	17	90	93

Interface residues

• A-B: ALA110B, ALA120B, ALA121B, ALA136B, ALA138B, ALA153B, ALA233A, ALA235A, ALA23A, ALA249A, ALA261B, ALA32B, ALA334A, ALA335A, ALA338A, ALA35B, ALA43B, ALA453B, ALA455A, ALA458A, ALA475A, ALA52B, ALA59B, ALA62A, ALA64A, ALA65B, ALA67B, ALA78A, ALA93A, ALA95B, ARG103B, ARG120A, ARG186A, ARG209A, ARG237A, ARG246A, ARG24A, ARG24B, ARG266B, ARG27A, ARG27B, ARG328A, ARG343A, ARG37B, ARG427B, ARG449B, ARG459A, ARG477B, ARG49A, ARG56B, ARG57B, ARG59A, ARG92A, ARG95A, ARG96A, ARG98B, ASN102B, ASN112A, ASN127B, ASN128B, ASN130B, ASN135B, ASN228A, ASN25B, ASN262A, ASN393B, ASN420B, ASN441B, ASN54B, ASN8B, ASP106A, ASP114B, ASP116A, ASP119B, ASP121A, ASP17B, ASP220A, ASP232A, ASP254A, ASP258B, ASP262B, ASP34B, ASP401A, ASP422B, ASP443A, ASP450B, ASP452A, ASP460A, ASP5B, ASP63B, ASP76A, CYS10B, CYS111B, CYS151B, CYS153A, CYS61A, CYS68B, CYS87A, CYS93B, GLN118A, GLN134B, GLN16B, GLN190A, GLN20B, GLN250A, GLN28B, GLN2B, GLN332A, GLN36B, GLN39B, GLN430A, GLN438A, GLN52A, GLN69B, GLN89A, GLN91B, GLU107B, GLU118B, GLU119A, GLU135A, GLU136A, GLU138A, GLU152A, GLU154B, GLU17A, GLU183A, GLU18B, GLU215A, GLU21A, GLU21B, GLU241A, GLU242A, GLU255B, GLU259A, GLU261A, GLU30B, GLU31B, GLU378A, GLU406A, GLU408A, GLU40B, GLU425A, GLU472A, GLU49B, GLU51B, GLU58B, GLY101A, GLY104A, GLY126A, GLY132B, GLY146A, GLY156A, GLY157B, GLY159A, GLY184A, GLY187A, GLY189B, GLY230A, GLY231A, GLY253A, GLY255A, GLY263B, GLY331A, GLY422A, GLY433A, GLY444B, GLY446A, GLY450A, GLY453A, GLY54A, GLY60A, GLY65A, GLY68A, GLY72B, GLY83A, GLY86A, GLY88A, GLY89B, GLY92B, GLY94A, HIS104B, HIS191B, HIS264B, HIS33B, HIS392B, HIS425B, HIS440A, HIS449A, HIS473B, HIS474B, HIS476B, HIS79A, ILE109B, ILE122A, ILE134A, ILE145B, ILE147A, ILE156B, ILE158A, ILE188B, ILE196A, ILE223A, ILE229A, ILE238A, ILE336A, ILE337A, ILE423A, ILE428A, ILE447B, ILE456A, ILE4B, ILE7B, ILE80A, LEU111A, LEU130A, LEU131B, LEU133A, LEU133B, LEU139A, LEU139B, LEU13B, LEU140A, LEU143A, LEU157A, LEU16A, LEU192A, LEU22B, LEU239A, LEU240A, LEU257A, LEU257B, LEU29B, LEU407A, LEU423B, LEU473A, LEU478A, LEU53B, LEU60B, LEU71B, LEU84B, LYS106B, LYS128A, LYS129A, LYS132A, LYS141B, LYS145A, LYS175A, LYS26B, LYS339A, LYS412A, LYS424A, LYS426A, LYS431A, LYS445B, LYS50A, LYS66B, LYS67A, LYS6B, LYS75A, MET116B, MET129B, MET137A, MET152B, MET260A, MET267B, MET333A, MET432A, MET463A, MET56A, PHE101B, PHE105B, PHE108A, PHE113A, PHE117A, PHE141A, PHE14B, PHE172B, PHE185A, PHE187B, PHE19A, PHE214A, PHE226B, PHE23B, PHE379A, PHE429A, PHE42B, PHE446B, PHE454A, PHE457A, PHE467B, PHE470B, PHE55B, PHE97B, PRO108B, PRO12B, PRO142A, PRO154A, PRO185B, PRO20A, PRO260B, PRO447A, PRO468B, PRO53A, PRO64B, PRO70B, PRO84A, PRO85B, SER103A, SER107A, SER113B, SER115A, SER115B, SER131A, SER137B, SER186B, SER189A, SER190B, SER1B, SER236A, SER252A, SER403A, SER404A, SER428B, SER441A, SER442B, SER445A, SER51A, SER81A, SER90B, SER91A, SER9B, THR100A, THR110A, THR114A, THR117B, THR144A, THR150B, THR217A, THR22A, THR256A, THR259B, THR3B, THR45B, THR46B, THR474A, THR57A, THR61B, THR99B, TRP234A, TRP424B, TRP442A, TRP44B, TRP470A, TYR100B, TYR11B, TYR140B, TYR19B, TYR265B, TYR268B, TYR329A, TYR340A, TYR366B, TYR405A, TYR427A, TYR443B, TYR444A, TYR448A, TYR451A, TYR50B, TYR63A, TYR86B, TYR90A, TYR96B, TYR98A, TYR99A, VAL102A, VAL105A, VAL112B, VAL122B, VAL123A, VAL155A, VAL155B, VAL15A, VAL188A, VAL18A, VAL221A, VAL247A, VAL248A, VAL256B, VAL258A, VAL266A, VAL38B, VAL41B, VAL434A, VAL55A, VAL58A, VAL62B, VAL69A, VAL85A, VAL87B, VAL94B
• A-D: ALA319D, ALA337D, ALA469A, ALA475A, ALA93A, ARG343A, ARG344D, ARG346D, ARG413D, ARG437A, ARG459A, ARG519D, ARG92A, ARG95A, ARG96A, ASN228A, ASN466A, ASN467A, ASN471A, ASN97A, ASP106A, ASP254A, ASP322D, ASP338D, ASP349D, ASP353D, ASP443A, ASP460A, ASP462A, ASP512D, ASP516D, CYS384D, GLN430A, GLN438A, GLN507D, GLN89A, GLU323D, GLU381D, GLU385D, GLU472A, GLY101A, GLY104A, GLY230A, GLY231A, GLY345D, GLY360D, GLY383D, GLY433A, GLY509D, GLY94A, HIS355D, HIS359D, ILE336D, ILE423A, LEU111A, LEU318D, LEU324D, LEU325D, LEU340D, LEU342D, LEU347D, LEU352D, LEU358D, LEU379D, LEU380D, LEU382D, LEU418A, LEU465A, LEU473A, LEU478A, LEU498D, LEU501D, LEU508D, LEU517D, LYS339A, LYS361D, LYS426A, LYS431A, LYS510D, MET326D, MET350D, MET351D, MET432A, MET461A, MET463A, PHE378D, PHE429A, PHE436A, PHE515D, PRO335D, PRO410D, PRO435A, PRO447A, PRO468A, PRO476A, SER103A, SER107A, SER329D, SER354D, SER409D, SER441A, SER445A, SER514D, SER91A, THR100A, THR110A, THR321D, THR341D, THR356D, THR464A, THR474A, THR505D, THR511D, TRP234A, TRP357D, TRP442A, TRP470A, TRP477A, TYR340A, TYR411D, TYR427A, TYR444A, TYR448A, TYR483D, TYR513D, TYR90A, TYR98A, TYR99A, VAL102A, VAL105A, VAL348D, VAL434A, VAL518D
• B-C: ALA319B, ALA337B, ALA469C, ALA475C, ALA93C, ARG343C, ARG344B, ARG346B, ARG413B, ARG437C, ARG459C, ARG519B, ARG92C, ARG95C, ARG96C, ASN228C, ASN466C, ASN467C, ASN471C, ASN97C, ASP106C, ASP254C, ASP322B, ASP338B, ASP349B, ASP353B, ASP443C, ASP460C, ASP462C, ASP512B, ASP516B, CYS384B, GLN430C, GLN438C, GLN507B, GLN89C, GLU323B, GLU381B, GLU472C, GLY101C, GLY104C, GLY230C, GLY231C, GLY345B, GLY360B, GLY383B, GLY433C, GLY509B, GLY94C, HIS355B, HIS359B, ILE336B, ILE423C, LEU111C, LEU318B, LEU324B, LEU325B, LEU340B, LEU342B, LEU347B, LEU352B, LEU358B, LEU379B, LEU380B, LEU382B, LEU418C, LEU465C, LEU473C, LEU478C, LEU498B, LEU501B, LEU508B, LEU517B, LYS339C, LYS361B, LYS426C, LYS431C, LYS510B, MET326B, MET350B, MET351B, MET432C, MET461C, MET463C, PHE378B, PHE429C, PHE436C, PHE515B, PRO335B, PRO410B, PRO435C, PRO447C, PRO468C, PRO476C, SER103C, SER107C, SER329B, SER354B, SER409B, SER441C, SER445C, SER514B, SER91C, THR100C, THR110C, THR321B, THR341B, THR356B, THR464C, THR474C, THR505B, THR511B, TRP234C, TRP357B, TRP442C, TRP470C, TRP477C, TYR340C, TYR411B, TYR427C, TYR444C, TYR448C, TYR483B, TYR513B, TYR90C, TYR98C, TYR99C, VAL102C, VAL105C, VAL348B, VAL434C, VAL518B
• B-D: ALA261B, ALA261D, ALA453B, ALA453D, ALA457B, ALA457D, ALA496B, ALA496D, ARG103B, ARG103D, ARG234B, ARG234D, ARG266B, ARG266D, ARG344B, ARG344D, ARG346B, ARG346D, ARG427B, ARG427D, ARG449B, ARG449D, ARG464B, ARG464D, ARG472B, ARG472D, ARG477B, ARG477D, ARG519B, ARG519D, ASN102B, ASN102D, ASN441B, ASN441D, ASN488B, ASN488D, ASN495B, ASN495D, ASP258B, ASP258D, ASP262B, ASP262D, ASP349B, ASP349D, ASP353B, ASP353D, ASP450B, ASP450D, ASP471B, ASP471D, ASP502B, ASP502D, ASP504B, ASP504D, ASP512B, ASP512D, ASP516B, ASP516D, ASP5B, ASP5D, CYS10B, CYS10D, GLN16B, GLN16D, GLN20B, GLN20D, GLN39B, GLN39D, GLN448B, GLN448D, GLN478B, GLN478D, GLN507B, GLN507D, GLU107B, GLU107D, GLU15B, GLU15D, GLU255B, GLU255D, GLU343B, GLU343D, GLU459B, GLU459D, GLU484B, GLU484D, GLU499B, GLU499D, GLY263B, GLY263D, GLY270B, GLY270D, GLY345B, GLY345D, GLY444B, GLY444D, GLY509B, GLY509D, HIS104B, HIS104D, HIS355B, HIS355D, HIS473B, HIS473D, HIS474B, HIS474D, HIS476B, HIS476D, ILE447B, ILE447D, LEU13B, LEU13D, LEU230B, LEU230D, LEU257B, LEU257D, LEU342B, LEU342D, LEU347B, LEU347D, LEU352B, LEU352D, LEU358B, LEU358D, LEU452B, LEU452D, LEU462B, LEU462D, LEU469B, LEU469D, LEU475B, LEU475D, LEU498B, LEU498D, LEU501B, LEU501D, LEU508B, LEU508D, LEU517B, LEU517D, LYS106B, LYS106D, LYS361B, LYS361D, LYS362B, LYS362D, LYS445B, LYS445D, LYS454B, LYS454D, LYS456B, LYS456D, LYS500B, LYS500D, LYS510B, LYS510D, LYS6B, LYS6D, MET350B, MET350D, MET351B, MET351D, MET487B, MET487D, PHE105B, PHE105D, PHE14B, PHE14D, PHE23B, PHE23D, PHE42B, PHE42D, PHE431B, PHE431D, PHE446B, PHE446D, PHE470B, PHE470D, PHE515B, PHE515D, PRO108B, PRO108D, PRO12B, PRO12D, PRO260B, PRO260D, PRO468B, PRO468D, SER254B, SER254D, SER269B, SER269D, SER354B, SER354D, SER442B, SER442D, SER503B, SER503D, SER506B, SER506D, SER514B, SER514D, SER9B, SER9D, THR259B, THR259D, THR341B, THR341D, THR356B, THR356D, THR451B, THR451D, THR45B, THR45D, THR491B, THR491D, THR492B, THR492D, THR505B, THR505D, THR511B, THR511D, THR99B, THR99D, TRP357B, TRP357D, TYR100B, TYR100D, TYR11B, TYR11D, TYR19B, TYR19D, TYR443B, TYR443D, TYR513B, TYR513D, VAL256B, VAL256D, VAL348B, VAL348D, VAL38B, VAL38D, VAL490B, VAL490D, VAL494B, VAL494D, VAL497B, VAL497D, VAL518B, VAL518D
• C-D: ALA110D, ALA120D, ALA121D, ALA136D, ALA138D, ALA153D, ALA233C, ALA235C, ALA23C, ALA249C, ALA261D, ALA32D, ALA334C, ALA335C, ALA338C, ALA35D, ALA43D, ALA453D, ALA455C, ALA458C, ALA475C, ALA52D, ALA59D, ALA62C, ALA64C, ALA65D, ALA67D, ALA78C, ALA93C, ALA95D, ARG103D, ARG120C, ARG186C, ARG209C, ARG237C, ARG246C, ARG24C, ARG266D, ARG27C, ARG27D, ARG328C, ARG343C, ARG37D, ARG427D, ARG449D, ARG459C, ARG477D, ARG49C, ARG56D, ARG57D, ARG59C, ARG92C, ARG95C, ARG96C, ARG98D, ASN102D, ASN112C, ASN127D, ASN128D, ASN130D, ASN135D, ASN228C, ASN25D, ASN262C, ASN393D, ASN420D, ASN441D, ASN54D, ASN8D, ASP106C, ASP114D, ASP116C, ASP119D, ASP121C, ASP17D, ASP220C, ASP232C, ASP254C, ASP258D, ASP262D, ASP34D, ASP401C, ASP422D, ASP443C, ASP450D, ASP452C, ASP460C, ASP5D, ASP63D, ASP76C, CYS10D, CYS111D, CYS151D, CYS153C, CYS61C, CYS68D, CYS87C, CYS93D, GLN118C, GLN134D, GLN16D, GLN190C, GLN20D, GLN212C, GLN250C, GLN28D, GLN2D, GLN332C, GLN36D, GLN39D, GLN430C, GLN438C, GLN52C, GLN69D, GLN89C, GLN91D, GLU107D, GLU118D, GLU119C, GLU135C, GLU136C, GLU138C, GLU152C, GLU154D, GLU17C, GLU183C, GLU18D, GLU215C, GLU21C, GLU21D, GLU241C, GLU242C, GLU255D, GLU259C, GLU261C, GLU30D, GLU31D, GLU378C, GLU406C, GLU408C, GLU40D, GLU425C, GLU472C, GLU49D, GLU51D, GLU58D, GLY101C, GLY104C, GLY126C, GLY132D, GLY146C, GLY156C, GLY157D, GLY159C, GLY184C, GLY187C, GLY189D, GLY230C, GLY231C, GLY253C, GLY255C, GLY263D, GLY331C, GLY422C, GLY433C, GLY444D, GLY446C, GLY450C, GLY453C, GLY54C, GLY60C, GLY65C, GLY68C, GLY72D, GLY83C, GLY86C, GLY88C, GLY89D, GLY92D, GLY94C, HIS104D, HIS191D, HIS264D, HIS33D, HIS392D, HIS425D, HIS440C, HIS449C, HIS473D, HIS474D, HIS476D, HIS79C, HIS88D, ILE109D, ILE122C, ILE134C, ILE145D, ILE147C, ILE156D, ILE158C, ILE188D, ILE223C, ILE229C, ILE238C, ILE336C, ILE337C, ILE423C, ILE428C, ILE447D, ILE456C, ILE4D, ILE74C, ILE7D, ILE80C, LEU111C, LEU130C, LEU131D, LEU133C, LEU133D, LEU139C, LEU139D, LEU13D, LEU140C, LEU143C, LEU157C, LEU16C, LEU192C, LEU22D, LEU239C, LEU240C, LEU257C, LEU257D, LEU29D, LEU407C, LEU423D, LEU473C, LEU478C, LEU53D, LEU60D, LEU71D, LEU84D, LYS106D, LYS128C, LYS129C, LYS132C, LYS141D, LYS145C, LYS175C, LYS26D, LYS339C, LYS412C, LYS424C, LYS426C, LYS431C, LYS445D, LYS50C, LYS66D, LYS67C, LYS6D, LYS75C, MET116D, MET129D, MET137C, MET152D, MET260C, MET267D, MET333C, MET432C, MET463C, MET56C, PHE101D, PHE105D, PHE108C, PHE113C, PHE117C, PHE123D, PHE141C, PHE14D, PHE172D, PHE185C, PHE187D, PHE19C, PHE214C, PHE226D, PHE23D, PHE379C, PHE429C, PHE42D, PHE446D, PHE454C, PHE457C, PHE467D, PHE470D, PHE55D, PHE97D, PRO108D, PRO12D, PRO142C, PRO154C, PRO185D, PRO20C, PRO260D, PRO447C, PRO468D, PRO53C, PRO64D, PRO70D, PRO84C, PRO85D, SER103C, SER107C, SER113D, SER115C, SER115D, SER131C, SER137D, SER186D, SER189C, SER190D, SER1D, SER236C, SER252C, SER403C, SER404C, SER428D, SER441C, SER442D, SER445C, SER51C, SER81C, SER90D, SER91C, SER9D, THR100C, THR110C, THR114C, THR117D, THR144C, THR150D, THR22C, THR256C, THR259D, THR3D, THR45D, THR46D, THR474C, THR57C, THR61D, THR99D, TRP234C, TRP424D, TRP442C, TRP44D, TRP470C, TYR100D, TYR11D, TYR140D, TYR19D, TYR265D, TYR268D, TYR329C, TYR340C, TYR366D, TYR405C, TYR427C, TYR443D, TYR444C, TYR448C, TYR451C, TYR50D, TYR63C, TYR86D, TYR90C, TYR96D, TYR98C, TYR99C, VAL102C, VAL105C, VAL112D, VAL122D, VAL123C, VAL155C, VAL155D, VAL15C, VAL188C, VAL18C, VAL221C, VAL247C, VAL248C, VAL256D, VAL258C, VAL266C, VAL38D, VAL41D, VAL434C, VAL55C, VAL58C, VAL62D, VAL69C, VAL85C, VAL87D, VAL94D