3MKV

crystal structure of amidohydrolase eaj56179

• Total interactions analyzed: 28
• Total true interactions: 18
• Strongest Interaction:
  • Chains: E-G
  • Int. Res.: 48
  • Norm. En. per Res.: -4.9356
• Hub Node: A(5)

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	0.0	0.0	1252.93	1252.93	97	46	14	10067	0	2	1
A-C	-48.1732	-91.7846	-210.926	-350.8839	84	13	1	8483	5	40	46
A-D	-28.397	-74.7231	-113.208	-216.328	47	4	0	3665	6	6	5
A-F	0.0	4.7427	0.0	4.7427	2	0	0	0	0	0	7
A-G	-36.1222	-75.6253	-226.843	-338.5905	85	9	1	8655	7	41	49
B-C	-27.4818	-75.6677	-116.626	-219.7755	52	5	0	3842	8	7	5
B-D	-32.69	-54.288	-195.353	-282.331	84	11	1	8292	5	40	47
B-H	-46.1092	-83.1805	-222.802	-352.0917	83	5	1	8666	7	40	45
C-F	-39.1231	-83.3171	-224.846	-347.2862	85	10	1	8666	7	41	47
C-H	0.0	0.0	555.409	555.409	82	20	14	9487	0	3	1
D-E	-47.3066	-82.7833	-213.6	-343.6899	86	9	1	8507	5	40	47
D-G	0.0	0.0	535.425	535.425	82	14	14	9689	0	3	1
D-H	0.0	4.6919	0.0	4.6919	2	0	0	0	0	0	7
E-F	0.0	0.0	452.98	452.98	78	13	14	9573	0	2	1
E-G	-56.4067	-75.3469	-105.153	-236.9066	48	5	0	3636	7	7	5
E-H	-39.8996	-53.4656	-225.252	-318.6172	85	10	1	8591	7	41	48
F-G	-55.0607	-125.1433	-222.718	-402.9219	83	9	1	8548	11	40	45
F-H	-34.4418	-81.6973	-113.193	-229.332	48	3	0	3621	7	6	4

Interface residues

• A-B: ALA109A, ALA109B, ALA116A, ALA116B, ALA88A, ALA88B, ALA94A, ARG126A, ARG161A, ARG161B, ARG87A, ARG87B, ARG93A, ARG97A, ARG98A, ASN81A, ASN81B, CYS156A, CYS156B, CYS158A, CYS158B, CYS159A, CYS159B, GLN115A, GLN115B, GLU123A, GLU123B, GLY108A, GLY110A, GLY110B, GLY124A, GLY157A, GLY157B, GLY99A, ILE69A, ILE69B, ILE91B, LEU121A, LEU121B, LEU127A, LEU79A, LEU79B, LEU83A, LEU83B, LEU86A, LEU86B, LEU96A, LYS114A, LYS114B, LYS404A, MET185A, MET92A, MET92B, MET95A, PHE100A, PHE113A, PHE113B, PHE409A, PHE4B, PRO112A, PRO112B, PRO125A, PRO152B, PRO155A, PRO155B, PRO80A, PRO80B, PRO90A, PRO90B, SER119A, SER119B, SER154A, SER154B, THR101A, THR85A, THR85B, TYR111A, TYR111B, VAL117A, VAL117B, VAL122A, VAL122B, VAL160A, VAL160B, VAL162A, VAL162B, VAL402A, VAL410A, VAL66B, VAL67A, VAL67B, VAL82A, VAL82B, VAL84A, VAL84B, VAL89A, VAL89B
• A-C: ALA145C, ALA169C, ALA178A, ALA187A, ALA217A, ALA220A, ALA222A, ARG132A, ARG144C, ARG146C, ARG161A, ARG167A, ARG176A, ARG177A, ARG177C, ARG180A, ARG225A, ARG241C, ASN81A, ASP142C, ASP148C, ASP170C, ASP173A, ASP173C, ASP188A, ASP203C, ASP213C, CYS158A, CYS159A, GLN115A, GLN136C, GLN184A, GLN223A, GLU174A, GLU174C, GLU181A, GLU182A, GLU212C, GLU214C, GLU221A, GLU293C, GLY110A, GLY138C, GLY139C, GLY157A, GLY171C, GLY186A, GLY196C, GLY206C, GLY209C, GLY224A, GLY226A, ILE215C, LEU183A, LYS114A, LYS297C, MET150C, MET185A, PHE113A, PHE208C, PRO112A, PRO151C, PRO152C, PRO201C, PRO204C, SER135C, SER147C, SER195C, SER211C, THR137C, THR202C, THR227A, TYR111A, TYR149C, TYR210C, VAL160A, VAL162A, VAL168C, VAL172A, VAL172C, VAL175C, VAL179A, VAL205C, VAL207C
• A-D: ALA145A, ALA145D, ALA77A, ALA77D, ARG146A, ARG146D, ARG161A, ARG161D, ARG75D, ASN81A, ASN81D, ASP148A, ASP148D, CYS156A, CYS156D, CYS159A, CYS159D, LEU79A, LEU79D, LEU83A, LEU83D, MET150A, MET150D, PRO151A, PRO151D, PRO152A, PRO152D, PRO155A, PRO155D, PRO74A, PRO74D, PRO80A, PRO80D, SER147A, SER147D, SER154A, SER154D, THR78A, THR78D, TYR149A, TYR149D, VAL162A, VAL162D, VAL82A, VAL82D, VAL84A, VAL84D
• A-F: ASP173A, ASP173F
• A-G: ALA145A, ALA169A, ALA178G, ALA187G, ALA217G, ALA220G, ALA222G, ALA237A, ALA238A, ARG132G, ARG144A, ARG146A, ARG161G, ARG167G, ARG176G, ARG177A, ARG177G, ARG180G, ARG225G, ARG241A, ASN81G, ASP142A, ASP148A, ASP170A, ASP173A, ASP173G, ASP188G, ASP203A, ASP213A, CYS156G, CYS158G, CYS159G, GLN115G, GLN136A, GLN184G, GLN223G, GLU174A, GLU174G, GLU181G, GLU182G, GLU212A, GLU214A, GLU221G, GLY110G, GLY138A, GLY139A, GLY157G, GLY171A, GLY186G, GLY196A, GLY206A, GLY209A, GLY224G, GLY226G, ILE215A, LEU183G, LYS114G, LYS297A, MET150A, MET185G, PHE113G, PHE208A, PRO112G, PRO151A, PRO152A, PRO201A, PRO204A, SER135A, SER147A, SER195A, SER211A, THR137A, THR202A, THR227G, TYR111G, TYR149A, TYR210A, VAL160G, VAL162G, VAL168A, VAL172A, VAL172G, VAL175A, VAL179G, VAL207A
• B-C: ALA145B, ALA145C, ALA77B, ALA77C, ARG146B, ARG146C, ARG161B, ARG161C, ARG75B, ARG75C, ASN81B, ASN81C, ASP148B, ASP148C, CYS156B, CYS156C, CYS159B, CYS159C, GLU293C, LEU79B, LEU79C, LEU83B, LEU83C, MET150B, MET150C, PRO151B, PRO151C, PRO152B, PRO152C, PRO155B, PRO155C, PRO292B, PRO74B, PRO74C, PRO80B, PRO80C, SER147B, SER147C, SER154B, SER154C, THR78B, THR78C, TYR149B, TYR149C, VAL162B, VAL162C, VAL76B, VAL76C, VAL82B, VAL82C, VAL84B, VAL84C
• B-D: ALA145D, ALA169D, ALA178B, ALA187B, ALA217B, ALA220B, ALA222B, ARG132B, ARG144D, ARG146D, ARG161B, ARG167B, ARG176B, ARG177B, ARG180B, ARG225B, ARG241D, ASN81B, ASP142D, ASP148D, ASP170D, ASP173B, ASP173D, ASP188B, ASP203D, ASP213D, CYS156B, CYS158B, CYS159B, GLN115B, GLN136D, GLN184B, GLN223B, GLU174B, GLU174D, GLU181B, GLU182B, GLU212D, GLU214D, GLU221B, GLY110B, GLY138D, GLY139D, GLY157B, GLY171D, GLY186B, GLY196D, GLY206D, GLY209D, GLY224B, GLY226B, ILE215D, LEU183B, LYS114B, LYS297D, MET150D, MET185B, PHE113B, PHE208D, PRO112B, PRO143D, PRO151D, PRO152D, PRO201D, PRO204D, SER135D, SER147D, SER195D, SER211D, THR137D, THR202D, THR227B, TYR111B, TYR149D, TYR210D, VAL160B, VAL162B, VAL168D, VAL172B, VAL172D, VAL175D, VAL179B, VAL205D, VAL207D
• B-H: ALA145B, ALA169B, ALA178H, ALA187H, ALA217H, ALA220H, ALA222H, ARG132H, ARG144B, ARG146B, ARG161H, ARG167H, ARG176H, ARG177B, ARG177H, ARG180H, ARG225H, ARG241B, ASN81H, ASP142B, ASP148B, ASP170B, ASP173B, ASP173H, ASP203B, ASP213B, CYS156H, CYS158H, CYS159H, GLN115H, GLN136B, GLN184H, GLN223H, GLU174B, GLU174H, GLU181H, GLU182H, GLU212B, GLU214B, GLU221H, GLY110H, GLY138B, GLY139B, GLY157H, GLY171B, GLY186H, GLY196B, GLY206B, GLY209B, GLY224H, GLY226H, ILE215B, LEU183H, LYS114H, LYS297B, MET150B, MET185H, PHE113H, PHE208B, PRO112H, PRO143B, PRO151B, PRO152B, PRO201B, PRO204B, SER135B, SER147B, SER195B, SER211B, THR137B, THR202B, THR227H, TYR111H, TYR149B, TYR210B, VAL160H, VAL162H, VAL168B, VAL172B, VAL172H, VAL175B, VAL179H, VAL207B
• C-F: ALA145F, ALA169F, ALA178C, ALA187C, ALA217C, ALA220C, ALA222C, ARG132C, ARG144F, ARG146F, ARG161C, ARG167C, ARG176C, ARG177C, ARG180C, ARG216F, ARG225C, ARG241F, ASN81C, ASP142F, ASP148F, ASP170F, ASP173C, ASP173F, ASP188C, ASP203F, ASP213F, CYS156C, CYS158C, CYS159C, GLN115C, GLN136F, GLN184C, GLN223C, GLU174C, GLU174F, GLU181C, GLU182C, GLU212F, GLU214F, GLU221C, GLY110C, GLY138F, GLY139F, GLY157C, GLY171F, GLY186C, GLY196F, GLY206F, GLY209F, GLY224C, GLY226C, ILE215F, LEU183C, LYS114C, LYS297F, MET150F, MET185C, PHE113C, PHE208F, PRO112C, PRO143F, PRO151F, PRO152F, PRO201F, PRO204F, SER135F, SER147F, SER195F, SER211F, THR137F, THR202F, THR227C, TYR111C, TYR149F, TYR210F, VAL160C, VAL162C, VAL168F, VAL172C, VAL172F, VAL175F, VAL179C, VAL205F, VAL207F
• C-H: ALA109C, ALA109H, ALA116C, ALA116H, ALA88C, ALA88H, ARG161C, ARG161H, ARG75C, ARG87C, ARG87H, ASN81C, ASN81H, CYS156C, CYS156H, CYS158C, CYS158H, CYS159C, CYS159H, GLN115C, GLN115H, GLU118H, GLU123C, GLU123H, GLY108H, GLY110C, GLY110H, GLY120C, GLY157C, GLY157H, ILE69C, ILE69H, LEU121C, LEU121H, LEU127H, LEU79C, LEU79H, LEU83C, LEU83H, LEU86C, LEU86H, LYS114C, LYS114H, MET185C, MET185H, MET92C, MET92H, PHE113C, PHE113H, PRO112C, PRO112H, PRO155C, PRO155H, PRO80C, PRO80H, PRO90C, PRO90H, SER119C, SER119H, SER154C, SER154H, THR85C, THR85H, TYR111C, TYR111H, VAL117C, VAL117H, VAL122C, VAL122H, VAL160C, VAL160H, VAL162C, VAL162H, VAL66C, VAL67C, VAL67H, VAL82C, VAL82H, VAL84C, VAL84H, VAL89C, VAL89H
• D-E: ALA145E, ALA169E, ALA178D, ALA187D, ALA217D, ALA220D, ALA222D, ARG132D, ARG144E, ARG146E, ARG161D, ARG167D, ARG176D, ARG177D, ARG177E, ARG180D, ARG216E, ARG225D, ARG241E, ASN81D, ASP142E, ASP148E, ASP170E, ASP173D, ASP173E, ASP188D, ASP203E, ASP213E, CYS156D, CYS158D, CYS159D, GLN115D, GLN136E, GLN184D, GLN223D, GLU174D, GLU174E, GLU181D, GLU182D, GLU212E, GLU214E, GLU221D, GLY110D, GLY138E, GLY139E, GLY157D, GLY171E, GLY186D, GLY196E, GLY206E, GLY209E, GLY224D, GLY226D, ILE215E, LEU183D, LYS114D, LYS297E, MET150E, MET185D, PHE113D, PHE208E, PRO112D, PRO143E, PRO151E, PRO152E, PRO201E, PRO204E, SER135E, SER147E, SER195E, SER211E, THR137E, THR202E, THR227D, TYR111D, TYR149E, TYR210E, VAL160D, VAL162D, VAL168E, VAL172D, VAL172E, VAL175E, VAL179D, VAL205E, VAL207E
• D-G: ALA109D, ALA109G, ALA116D, ALA116G, ALA88D, ALA88G, ARG161D, ARG161G, ARG87D, ARG87G, ASN81D, ASN81G, CYS156D, CYS156G, CYS158D, CYS158G, CYS159D, CYS159G, GLN115D, GLN115G, GLU118D, GLU123D, GLU123G, GLY108G, GLY110D, GLY110G, GLY157D, GLY157G, ILE69D, ILE69G, ILE91D, ILE91G, LEU121D, LEU121G, LEU127D, LEU127G, LEU79D, LEU79G, LEU83D, LEU83G, LEU86D, LEU86G, LYS114D, LYS114G, MET185D, MET185G, MET92D, MET92G, PHE113D, PHE113G, PRO112D, PRO112G, PRO155D, PRO155G, PRO80D, PRO80G, PRO90D, PRO90G, SER119D, SER119G, SER154D, SER154G, THR85D, THR85G, TYR111D, TYR111G, VAL117D, VAL117G, VAL122D, VAL122G, VAL160D, VAL160G, VAL162D, VAL162G, VAL67D, VAL67G, VAL82D, VAL82G, VAL84D, VAL84G, VAL89D, VAL89G
• D-H: ASP173D, ASP173H
• E-F: ALA109E, ALA109F, ALA116E, ALA116F, ALA88E, ALA88F, ARG161E, ARG161F, ARG87E, ARG87F, ASN81E, ASN81F, CYS156E, CYS156F, CYS158E, CYS158F, CYS159E, CYS159F, GLN115E, GLN115F, GLU118F, GLU123E, GLY108F, GLY110E, GLY110F, GLY157E, GLY157F, ILE69E, ILE69F, ILE91E, LEU121E, LEU121F, LEU79E, LEU79F, LEU83E, LEU83F, LEU86E, LEU86F, LYS114E, LYS114F, MET185E, MET92E, MET92F, PHE113E, PHE113F, PRO112E, PRO112F, PRO155E, PRO155F, PRO80E, PRO80F, PRO90E, PRO90F, SER119E, SER119F, SER154E, SER154F, THR85E, THR85F, TYR111E, TYR111F, VAL117E, VAL117F, VAL122E, VAL122F, VAL160E, VAL160F, VAL162E, VAL162F, VAL66E, VAL67E, VAL67F, VAL82E, VAL82F, VAL84E, VAL84F, VAL89E, VAL89F
• E-G: ALA145E, ALA145G, ALA77E, ALA77G, ARG146E, ARG146G, ARG161E, ARG161G, ARG75E, ARG75G, ASN81E, ASN81G, ASP148E, ASP148G, CYS156E, CYS156G, CYS159G, GLU293E, LEU79E, LEU79G, LEU83E, LEU83G, MET150E, MET150G, PRO151E, PRO151G, PRO152E, PRO152G, PRO155E, PRO155G, PRO80E, PRO80G, SER147E, SER147G, SER154E, SER154G, THR78E, THR78G, TYR149E, TYR149G, VAL162E, VAL162G, VAL76E, VAL76G, VAL82E, VAL82G, VAL84E, VAL84G
• E-H: ALA145H, ALA169H, ALA178E, ALA187E, ALA217E, ALA220E, ALA222E, ALA238H, ARG132E, ARG144H, ARG146H, ARG161E, ARG167E, ARG176E, ARG177E, ARG180E, ARG216H, ARG225E, ARG241H, ASN81E, ASP142H, ASP148H, ASP170H, ASP173E, ASP173H, ASP203H, ASP213H, CYS156E, CYS158E, CYS159E, GLN115E, GLN136H, GLN184E, GLN223E, GLU174E, GLU174H, GLU181E, GLU182E, GLU212H, GLU214H, GLU221E, GLY110E, GLY138H, GLY139H, GLY157E, GLY171H, GLY186E, GLY196H, GLY206H, GLY209H, GLY224E, GLY226E, ILE215H, LEU183E, LYS114E, LYS297H, MET150H, MET185E, PHE113E, PHE208H, PRO112E, PRO143H, PRO151H, PRO152H, PRO201H, PRO204H, SER135H, SER147H, SER195H, SER211H, THR137H, THR202H, THR227E, TYR111E, TYR149H, TYR210H, VAL160E, VAL162E, VAL168H, VAL172E, VAL172H, VAL175H, VAL179E, VAL205H, VAL207H
• F-G: ALA145G, ALA169G, ALA178F, ALA187F, ALA217F, ALA220F, ALA222F, ARG132F, ARG144G, ARG146G, ARG161F, ARG167F, ARG176F, ARG177F, ARG177G, ARG180F, ARG225F, ARG241G, ASN81F, ASP142G, ASP148G, ASP153G, ASP170G, ASP173F, ASP173G, ASP188F, ASP203G, ASP213G, CYS158F, CYS159F, GLN115F, GLN136G, GLN184F, GLN223F, GLU174F, GLU174G, GLU181F, GLU182F, GLU212G, GLU214G, GLU221F, GLY110F, GLY138G, GLY139G, GLY157F, GLY171G, GLY186F, GLY196G, GLY206G, GLY209G, GLY224F, GLY226F, ILE215G, LEU183F, LYS114F, LYS297G, MET150G, MET185F, PHE113F, PHE208G, PRO112F, PRO143G, PRO151G, PRO152G, PRO201G, PRO204G, SER135G, SER147G, SER211G, THR137G, THR202G, THR227F, TYR111F, TYR149G, TYR210G, VAL160F, VAL162F, VAL168G, VAL172F, VAL172G, VAL175G, VAL179F, VAL207G
• F-H: ALA145F, ALA145H, ALA77F, ALA77H, ARG146F, ARG146H, ARG161F, ARG161H, ARG75F, ARG75H, ASN81F, ASN81H, ASP148F, ASP148H, CYS156F, CYS156H, CYS159F, CYS159H, LEU79F, LEU79H, LEU83F, LEU83H, MET150F, MET150H, PRO151F, PRO151H, PRO152F, PRO152H, PRO155F, PRO155H, PRO74H, PRO80F, PRO80H, SER147F, SER147H, SER154F, SER154H, THR78F, THR78H, TYR149F, TYR149H, VAL162F, VAL162H, VAL76F, VAL82F, VAL82H, VAL84F, VAL84H