3K92

crystal structure of a e93k mutant of the majour bacillus subtilis glutamate dehydrogenase rocg

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 91
  • Norm. En. per Res.: -2.9934
• Hub Node: A(4)

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	-65.7647	-29.8341	-222.327	-317.9258	119	28	6	10718	0	26	33
A-D	-23.5845	-26.2108	-111.078	-160.8733	56	7	1	4128	14	43	35
A-E	-20.2571	-23.3585	-228.786	-272.4016	91	9	7	8614	4	20	20
A-F	-8.6594	-29.5472	-218.927	-257.1337	88	8	7	8476	4	20	19
B-C	-10.3782	-37.9862	-219.081	-267.4455	93	7	7	8655	4	21	21
B-D	-9.3778	-33.152	-221.824	-264.3538	92	5	7	8748	4	21	22
B-F	-26.2188	-26.6793	-106.357	-159.2552	58	7	1	4215	13	46	37
C-D	-12.8049	-40.0922	-220.893	-273.7902	94	7	7	8542	4	21	21
C-E	-27.2713	-21.1973	-107.02	-155.4886	61	10	1	4422	13	45	36
C-F	-58.8355	-29.6727	-215.895	-304.4032	118	20	6	10758	0	27	33
D-E	-65.9137	-28.0505	-214.242	-308.2062	119	22	6	10592	0	27	32
E-F	-7.25	-35.5569	-208.468	-251.2749	93	8	7	8389	4	21	22

Interface residues

• A-B: ALA141A, ALA141B, ARG140A, ARG140B, ARG175A, ARG175B, ARG419A, ARG419B, ARG421A, ARG421B, ARG47A, ARG47B, ARG52A, ARG52B, ARG69A, ARG69B, ASN73A, ASN73B, ASP151A, ASP151B, ASP37A, ASP37B, ASP74A, ASP74B, GLN144A, GLN144B, GLN22A, GLN22B, GLN46A, GLN46B, GLN71A, GLN71B, GLU40A, GLU40B, GLU44A, GLU44B, GLU91A, GLU91B, GLY147A, GLY147B, GLY36A, GLY36B, GLY422A, GLY422B, GLY60A, GLY60B, GLY67A, GLY67B, HIS72A, HIS72B, ILE142A, ILE142B, ILE145A, ILE145B, ILE53A, ILE53B, LEU41A, LEU41B, LEU49A, LEU49B, LYS150A, LYS150B, LYS43A, LYS43B, LYS56A, LYS56B, LYS63A, LYS63B, LYS95A, LYS95B, MET38A, MET38B, MET42A, MET42B, MET48A, MET48B, PHE18A, PHE18B, PHE65A, PHE65B, PRO35A, PRO35B, PRO45A, PRO45B, PRO54A, PRO54B, SER143A, SER143B, SER418A, SER418B, SER61A, SER61B, SER70A, SER70B, THR149A, THR149B, THR50A, THR50B, THR66A, THR66B, TRP423A, TRP423B, TYR171B, TYR39A, TYR39B, TYR68A, TYR68B, VAL146A, VAL146B, VAL424A, VAL424B, VAL51A, VAL51B, VAL55A, VAL55B, VAL62A, VAL62B, VAL64A, VAL64B
• A-D: ALA141A, ALA141D, ARG133A, ARG133D, ARG136A, ARG136D, ARG140A, ARG140D, ARG173A, ARG173D, ARG175A, ARG175D, ARG52A, ASP169A, ASP169D, ASP178A, GLN144A, GLN144D, GLU132A, GLU132D, GLU170A, GLU170D, GLU176A, GLU176D, GLY129A, GLY129D, GLY137A, GLY137D, ILE142A, ILE142D, ILE145A, ILE145D, ILE53A, ILE53D, LEU174A, LEU174D, LYS150A, LYS150D, LYS56A, LYS56D, PHE177A, PHE177D, PRO54A, PRO54D, SER143A, SER143D, SER172A, SER172D, TRP166A, TRP166D, TYR171A, TYR171D, VAL139A, VAL139D, VAL146A, VAL146D
• A-E: ALA165A, ALA415E, ALA417E, ALA75E, ARG136A, ARG173A, ARG175A, ARG196A, ARG412E, ARG419E, ARG421E, ARG47E, ASN109E, ASN160A, ASN365A, ASN365E, ASN366A, ASN366E, ASN73E, ASP151E, ASP169A, ASP178A, ASP74E, GLN144E, GLN162A, GLN194A, GLN364A, GLN364E, GLN367A, GLN367E, GLN46E, GLU132A, GLU170A, GLU176A, GLU375A, GLU378E, GLU416E, GLY113E, GLY147E, GLY191A, GLY368A, GLY368E, GLY422E, GLY77E, ILE145E, ILE163A, LEU110E, LEU188A, LEU190A, LYS150E, LYS186A, LYS379E, LYS413E, MET164A, MET167A, MET168A, PHE177A, PHE360E, PHE420E, PRO111E, PRO148E, PRO180A, PRO187A, PRO78E, SER161A, SER172A, SER179A, SER372A, SER382E, SER414E, SER418E, THR149E, THR356E, THR79E, TRP166A, TRP362E, TRP371A, TRP371E, TRP423E, TYR112E, TYR171A, TYR34E, TYR359E, TYR369A, TYR369E, TYR370A, VAL189A, VAL363A, VAL363E, VAL383E, VAL76E
• A-F: ALA165F, ALA415A, ALA417A, ALA75A, ARG136F, ARG173F, ARG175F, ARG412A, ARG419A, ARG421A, ARG47A, ASN109A, ASN160F, ASN365A, ASN365F, ASN366A, ASN366F, ASN73A, ASP151A, ASP169F, ASP178F, ASP74A, GLN144A, GLN162F, GLN194F, GLN364A, GLN364F, GLN367A, GLN367F, GLN46A, GLU132F, GLU170F, GLU176F, GLU375F, GLU416A, GLY113A, GLY147A, GLY191F, GLY368A, GLY368F, GLY422A, GLY77A, ILE145A, ILE163F, LEU110A, LEU188F, LEU190F, LEU41A, LYS150A, LYS186F, LYS379A, LYS413A, MET164F, MET167F, MET168F, PHE177F, PHE360A, PHE420A, PRO111A, PRO148A, PRO180F, PRO187F, PRO78A, SER161F, SER172F, SER179F, SER382A, SER414A, SER418A, THR149A, THR356A, THR79A, TRP166F, TRP362A, TRP371A, TRP371F, TRP423A, TYR112A, TYR171F, TYR359A, TYR369A, TYR369F, TYR370F, VAL189F, VAL363A, VAL363F, VAL383A, VAL76A
• B-C: ALA165B, ALA415C, ALA417C, ALA75C, ARG136B, ARG173B, ARG175B, ARG412C, ARG419C, ARG421C, ARG47C, ASN109C, ASN365B, ASN365C, ASN366B, ASN366C, ASN73C, ASP151C, ASP169B, ASP178B, ASP74C, GLN144C, GLN162B, GLN194B, GLN364B, GLN364C, GLN367B, GLN367C, GLN46C, GLU132B, GLU170B, GLU176B, GLU375B, GLU375C, GLU378C, GLU416C, GLY113C, GLY147C, GLY191B, GLY368B, GLY368C, GLY422C, GLY77C, ILE145C, ILE163B, LEU110C, LEU188B, LEU190B, LEU380C, LEU41C, LYS150C, LYS186B, LYS379C, LYS413C, MET164B, MET167B, MET168B, PHE177B, PHE360C, PHE420C, PRO111C, PRO148C, PRO180B, PRO187B, PRO78C, SER161B, SER172B, SER179B, SER372B, SER382C, SER386C, SER414C, SER418C, THR149C, THR356C, THR79C, TRP166B, TRP362C, TRP371B, TRP371C, TRP423C, TYR112C, TYR171B, TYR359C, TYR369B, TYR369C, TYR370B, VAL189B, VAL363B, VAL363C, VAL376C, VAL383C, VAL76C
• B-D: ALA165D, ALA415B, ALA417B, ALA75B, ARG136D, ARG173D, ARG175D, ARG412B, ARG419B, ARG421B, ARG47B, ASN109B, ASN160D, ASN365B, ASN365D, ASN366B, ASN366D, ASN73B, ASP151B, ASP169D, ASP178D, ASP74B, GLN144B, GLN162D, GLN194D, GLN364B, GLN364D, GLN367B, GLN367D, GLN46B, GLU132D, GLU170D, GLU176D, GLU375B, GLU375D, GLU416B, GLY113B, GLY147B, GLY191D, GLY368B, GLY368D, GLY422B, GLY77B, ILE145B, ILE163D, LEU110B, LEU188D, LEU190D, LEU380B, LEU41B, LYS150B, LYS186D, LYS379B, LYS413B, MET164D, MET167D, MET168D, PHE177D, PHE360B, PHE420B, PRO111B, PRO148B, PRO180D, PRO187D, PRO78B, SER161D, SER172D, SER179D, SER372D, SER382B, SER386B, SER414B, SER418B, THR149B, THR356B, THR79B, TRP166D, TRP362B, TRP371B, TRP371D, TRP423B, TYR112B, TYR171D, TYR359B, TYR369B, TYR369D, TYR370D, VAL189D, VAL363B, VAL363D, VAL383B, VAL76B
• B-F: ALA141B, ALA141F, ARG133B, ARG133F, ARG136B, ARG136F, ARG140B, ARG140F, ARG173B, ARG173F, ARG175B, ARG175F, ARG52B, ARG52F, ASP169B, ASP169F, ASP178B, ASP178F, GLN144B, GLN144F, GLU132B, GLU132F, GLU170B, GLU170F, GLU176B, GLU176F, GLY129B, GLY129F, GLY137B, GLY137F, ILE142B, ILE142F, ILE145B, ILE145F, ILE53B, ILE53F, LEU174B, LEU174F, LYS150B, LYS150F, LYS56B, LYS56F, PHE177B, PHE177F, PRO54B, PRO54F, SER143B, SER143F, SER172B, SER172F, TRP166B, TRP166F, TYR171B, TYR171F, VAL139B, VAL139F, VAL146B, VAL146F
• C-D: ALA165C, ALA415D, ALA417D, ALA75D, ARG136C, ARG173C, ARG175C, ARG196C, ARG412D, ARG419D, ARG421D, ARG47D, ASN109D, ASN160C, ASN365C, ASN365D, ASN366C, ASN366D, ASN73D, ASP151D, ASP169C, ASP178C, ASP74D, GLN144D, GLN162C, GLN194C, GLN364C, GLN364D, GLN367C, GLN367D, GLN46D, GLU132C, GLU170C, GLU176C, GLU375C, GLU378D, GLU416D, GLY113D, GLY147D, GLY191C, GLY368C, GLY368D, GLY422D, GLY77D, ILE145D, ILE163C, LEU110D, LEU174C, LEU188C, LEU190C, LEU380D, LYS150D, LYS186C, LYS379D, LYS413D, MET164C, MET167C, MET168C, PHE177C, PHE360D, PHE420D, PRO111D, PRO148D, PRO180C, PRO187C, PRO78D, SER161C, SER172C, SER179C, SER372C, SER382D, SER386D, SER414D, SER418D, THR149D, THR356D, THR79D, TRP166C, TRP362D, TRP371C, TRP371D, TRP423D, TYR112D, TYR171C, TYR359D, TYR369C, TYR369D, TYR370C, VAL189C, VAL363C, VAL363D, VAL383D, VAL424D, VAL76D
• C-E: ALA141C, ALA141E, ARG133C, ARG133E, ARG136C, ARG136E, ARG140C, ARG140E, ARG173C, ARG173E, ARG175C, ARG175E, ARG52C, ARG52E, ASP169C, ASP169E, ASP178C, ASP178E, GLN144C, GLN144E, GLU132C, GLU132E, GLU170C, GLU170E, GLU176C, GLU176E, GLY129C, GLY129E, GLY137C, GLY137E, ILE142C, ILE142E, ILE145C, ILE145E, ILE53C, ILE53E, LEU174C, LEU174E, LYS150C, LYS150E, LYS56C, LYS56E, PHE177C, PHE177E, PRO54C, PRO54E, SER143C, SER143E, SER172C, SER172E, TRP166C, TRP166E, TYR138C, TYR171C, TYR171E, VAL139C, VAL139E, VAL146C, VAL146E, VAL51C, VAL55E
• C-F: ALA141C, ALA141F, ARG140C, ARG140F, ARG175C, ARG175F, ARG419C, ARG419F, ARG421C, ARG421F, ARG47C, ARG47F, ARG52C, ARG52F, ARG69C, ARG69F, ASN73C, ASN73F, ASP151C, ASP151F, ASP37C, ASP37F, ASP74C, ASP74F, GLN144C, GLN144F, GLN22C, GLN22F, GLN46C, GLN46F, GLN71C, GLN71F, GLU40C, GLU40F, GLU44C, GLU44F, GLU91C, GLU91F, GLY147C, GLY147F, GLY36C, GLY36F, GLY422C, GLY422F, GLY60C, GLY60F, GLY67C, GLY67F, HIS72C, HIS72F, ILE142C, ILE142F, ILE145C, ILE145F, ILE53C, ILE53F, LEU41C, LEU41F, LEU49C, LEU49F, LYS150C, LYS150F, LYS43C, LYS43F, LYS56C, LYS56F, LYS63C, LYS63F, LYS95C, LYS95F, MET38C, MET38F, MET42C, MET42F, MET48C, MET48F, PHE18C, PHE18F, PHE65C, PHE65F, PRO35C, PRO35F, PRO45C, PRO45F, PRO54C, PRO54F, SER143C, SER143F, SER418C, SER418F, SER61C, SER61F, SER70C, SER70F, THR149C, THR149F, THR50C, THR50F, THR66C, THR66F, TRP423C, TRP423F, TYR39C, TYR39F, TYR68C, TYR68F, VAL146C, VAL146F, VAL424C, VAL424F, VAL51C, VAL51F, VAL55C, VAL55F, VAL62C, VAL62F, VAL64C, VAL64F
• D-E: ALA141D, ALA141E, ARG140D, ARG140E, ARG175D, ARG175E, ARG419D, ARG419E, ARG421D, ARG421E, ARG47D, ARG47E, ARG52D, ARG52E, ARG69D, ARG69E, ASN73D, ASN73E, ASP151D, ASP151E, ASP37D, ASP37E, ASP74D, ASP74E, GLN144D, GLN144E, GLN22D, GLN22E, GLN46D, GLN46E, GLN71D, GLN71E, GLU40D, GLU40E, GLU44D, GLU44E, GLU91D, GLU91E, GLU92E, GLY147D, GLY147E, GLY36D, GLY36E, GLY422D, GLY422E, GLY60D, GLY60E, GLY67D, GLY67E, HIS72D, HIS72E, ILE142D, ILE142E, ILE145D, ILE145E, ILE53D, ILE53E, LEU41D, LEU41E, LEU49D, LEU49E, LYS150D, LYS150E, LYS43D, LYS43E, LYS56D, LYS56E, LYS63D, LYS63E, LYS95D, LYS95E, MET38D, MET38E, MET42D, MET42E, MET48D, MET48E, PHE18D, PHE18E, PHE65D, PHE65E, PRO35D, PRO45D, PRO45E, PRO54D, PRO54E, SER143D, SER143E, SER418D, SER418E, SER61D, SER61E, SER70D, SER70E, THR149D, THR149E, THR50D, THR50E, THR66D, THR66E, TRP423D, TRP423E, TYR171D, TYR39D, TYR39E, TYR68D, TYR68E, VAL146D, VAL146E, VAL424D, VAL424E, VAL51D, VAL51E, VAL55D, VAL55E, VAL62D, VAL62E, VAL64D, VAL64E
• E-F: ALA165E, ALA415F, ALA417F, ALA75F, ARG136E, ARG173E, ARG175E, ARG412F, ARG419F, ARG421F, ARG47F, ASN109F, ASN160E, ASN365E, ASN366E, ASN366F, ASN73F, ASP151F, ASP169E, ASP178E, ASP74F, GLN144F, GLN162E, GLN194E, GLN364E, GLN364F, GLN367E, GLN367F, GLN46F, GLU132E, GLU170E, GLU176E, GLU375E, GLU375F, GLU378F, GLU416F, GLY106F, GLY113F, GLY147F, GLY191E, GLY368E, GLY368F, GLY422F, GLY77F, ILE145F, ILE163E, LEU110F, LEU188E, LEU190E, LEU380F, LYS150F, LYS186E, LYS379F, LYS413F, MET164E, MET167E, MET168E, PHE177E, PHE360F, PHE420F, PRO111F, PRO148F, PRO180E, PRO187E, PRO78F, SER161E, SER172E, SER179E, SER372E, SER382F, SER414F, SER418F, THR149F, THR356F, THR79F, TRP166E, TRP362F, TRP371E, TRP371F, TRP423F, TYR112F, TYR171E, TYR34F, TYR359F, TYR369E, TYR369F, TYR370E, VAL189E, VAL363E, VAL363F, VAL376F, VAL383F, VAL76F