2YEP

structure of an n-terminal nucleophile (ntn) hydrolase, oat2, in complex with glutamate

• Total interactions analyzed: 28
• Total true interactions: 19
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 196
  • Norm. En. per Res.: -6.0262
• 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	-263.5973	-41.7379	-860.406	-1165.7411	200	54	44	33047	3	38	27
A-C	0.0	-36.9864	-21.044	-58.0304	33	2	1	1070	1	19	15
A-D	0.0	-17.8542	-17.0496	-34.9038	34	0	0	1330	0	21	29
A-G	-6.2802	21.4375	-70.8531	-55.6958	49	4	1	3406	0	9	11
A-H	-4.3226	0.0	-12.1338	-16.4564	11	1	0	448	0	3	1
B-D	-10.9134	-37.6315	-62.8327	-111.3777	46	4	0	2862	7	33	35
B-G	0.0	0.0	-9.7605	-9.7605	21	4	1	977	1	3	2
B-H	0.0	0.0	-7.279	-7.279	10	2	1	345	0	2	2
C-D	-279.7499	-43.7571	-857.634	-1181.141	196	60	45	32346	4	38	26
C-E	-17.2655	10.4384	-103.721	-110.5481	56	7	1	4418	0	10	13
C-F	-7.5693	0.0	-7.8137	-15.3831	11	1	0	481	0	3	1
D-E	0.0	0.0	-13.4636	-13.4636	17	0	1	822	0	3	3
D-F	0.0	0.0	-9.1831	-9.1831	11	1	1	400	0	2	1
E-F	-270.172	-43.4475	-887.309	-1200.9285	201	53	47	33972	3	37	27
E-G	-20.553	-37.6866	-11.0992	-69.3388	26	3	0	773	1	16	15
E-H	0.0	-2.312	-14.0983	-16.4103	28	0	0	901	0	19	24
F-G	0.0	0.0	-0.0007	-0.0007	2	0	0	2	0	0	0
F-H	-18.0408	-31.89	-45.3146	-95.2454	41	8	0	2438	8	29	32
G-H	-239.4319	-27.4366	-865.517	-1132.3855	199	49	44	32369	4	39	25

Interface residues

• A-B: ALA109A, ALA142A, ALA143A, ALA163A, ALA169A, ALA180A, ALA187B, ALA190B, ALA195B, ALA211B, ALA224B, ALA228B, ALA232B, ALA237B, ALA243B, ALA247B, ALA248B, ALA250B, ALA256B, ALA262B, ALA33A, ALA36A, ALA38A, ALA42A, ALA50A, ALA60A, ALA66A, ALA73A, ALA76A, ALA79A, ARG10A, ARG116A, ARG152A, ARG157A, ARG191B, ARG199B, ARG202B, ARG203B, ARG46A, ARG48A, ARG58A, ARG67A, ARG74A, ASN210B, ASN229B, ASN288B, ASN388B, ASN75A, ASN77A, ASP150A, ASP178A, ASP189B, ASP193B, ASP198B, ASP206B, ASP215B, ASP217B, ASP222B, ASP236B, ASP254B, ASP258B, ASP63A, CYS378B, CYS57A, GLN197B, GLN65A, GLU105A, GLU136A, GLU155A, GLU176A, GLU196B, GLU234B, GLU239B, GLU241B, GLU242B, GLU260B, GLY112A, GLY115A, GLY11A, GLY161A, GLY162A, GLY167A, GLY171A, GLY173A, GLY230B, GLY233B, GLY238B, GLY259B, GLY261B, GLY377B, GLY51A, GLY64A, GLY68A, HIS245B, ILE108A, ILE114A, ILE146A, ILE168A, ILE214B, ILE255B, LEU107A, LEU165A, LEU175A, LEU182B, LEU183B, LEU192B, LEU200B, LEU226B, LEU231B, LEU244B, LEU249B, LEU251B, LEU265B, LEU32A, LEU387B, LEU72A, LYS154A, LYS170A, LYS253B, LYS280B, LYS284B, MET106A, MET147A, MET174A, MET179A, MET205B, PHE12A, PHE139A, PHE185B, PHE186B, PHE201B, PHE209B, PHE227B, PHE240B, PHE44A, PHE49A, PRO153A, PRO177A, PRO194B, PRO37A, PRO52A, PRO9A, SER110A, SER159A, SER213B, SER219B, SER221B, SER257B, SER34A, SER41A, SER47A, SER53A, THR111A, THR148A, THR149A, THR151A, THR164A, THR184B, THR188B, THR208B, THR216B, THR218B, THR220B, THR223B, THR246B, THR285B, THR30A, THR35A, THR392B, THR393B, THR39A, THR45A, THR8A, TYR376B, TYR384B, TYR391B, VAL113A, VAL13A, VAL14A, VAL156A, VAL158A, VAL160A, VAL166A, VAL172A, VAL204B, VAL212B, VAL225B, VAL235B, VAL252B, VAL287B, VAL375B, VAL40A, VAL43A, VAL54A, VAL55A, VAL61A, VAL69A, VAL70A, VAL71A, VAL78A
• A-C: ALA134A, ALA17A, ALA180C, ALA22A, ALA50C, ALA62C, ARG141A, ARG144A, ARG26A, ARG46C, ARG48C, ARG58C, ARG74A, ASP23A, ASP24A, ASP27A, ASP63C, GLU59C, GLY25A, GLY64C, HIS126A, HIS15A, MET147A, PHE44C, PRO133A, PRO18A, SER47C, THR16A, THR45C, VAL43C, VAL54C, VAL55C, VAL61C
• A-D: ALA134A, ALA195D, ALA277D, ARG141A, ARG144A, ARG152A, ARG157A, ARG199D, ARG202D, ARG203D, ARG26A, ARG274D, ARG281D, ASP140A, ASP193D, ASP198D, ASP206D, ASP275D, ASP276D, ASP27A, GLU136A, GLU155A, GLU196D, GLY135A, GLY137A, GLY138A, MET147A, PHE139A, PRO153A, PRO194D, PRO9A, THR151A, THR8A, VAL166A
• A-G: ALA134A, ALA134G, ALA33G, ALA36A, ALA36G, ALA96A, ALA96G, ALA98A, ALA98G, ARG10A, ARG10G, ARG67A, ARG67G, ARG97A, ARG97G, ASP63A, GLN65A, GLN65G, GLU103A, GLU103G, GLU105A, GLU105G, GLU131G, GLU136A, GLU93G, GLY100A, GLY100G, GLY11A, GLY11G, GLY135A, GLY135G, LEU101A, LEU101G, LEU130G, LEU99A, LEU99G, PRO102A, PRO102G, PRO133G, PRO37A, PRO37G, SER34A, SER34G, THR35A, THR35G, TRP132A, TRP132G, VAL13A, VAL13G
• A-H: ALA232H, ALA36A, ARG10A, ARG191H, ASN229H, ASP189H, GLU234H, GLY11A, GLY230H, GLY233H, LEU231H
• B-D: ALA262B, ALA263B, ALA273D, ALA352B, ALA367D, ALA369D, ARG274D, ARG281D, ARG323D, ARG356B, ARG386B, ASP258B, ASP275D, ASP315D, ASP316D, ASP318D, ASP320D, ASP358B, ASP370D, ASP379B, CYS299B, GLN278D, GLN321D, GLU322D, GLU353B, GLU359B, GLU382B, GLY259B, GLY261B, GLY298B, GLY357B, GLY371D, GLY383B, HIS297B, HIS354B, ILE319D, ILE368D, LEU265B, LEU355B, LYS264B, SER257B, SER314D, THR317D, THR381B, TYR384B, VAL296B
• B-G: ALA190B, ALA232B, ALA36G, ARG10G, ARG191B, ARG67G, ASN229B, ASP189B, GLU136G, GLU234B, GLY11G, GLY135G, GLY230B, GLY233B, LEU231B, PHE12G, PRO37G, PRO9G, SER34G, THR35G, VAL235B
• B-H: ALA232B, ALA232H, ARG191B, ASN229H, ASP189B, GLY230B, GLY230H, GLY233B, LEU231B, LEU231H
• C-D: ALA109C, ALA142C, ALA143C, ALA163C, ALA169C, ALA180C, ALA187D, ALA190D, ALA195D, ALA211D, ALA224D, ALA228D, ALA232D, ALA237D, ALA243D, ALA247D, ALA248D, ALA250D, ALA256D, ALA262D, ALA33C, ALA36C, ALA38C, ALA42C, ALA50C, ALA60C, ALA66C, ALA73C, ALA76C, ALA79C, ARG10C, ARG152C, ARG157C, ARG191D, ARG199D, ARG202D, ARG203D, ARG46C, ARG48C, ARG58C, ARG67C, ARG74C, ASN210D, ASN229D, ASN288D, ASN388D, ASN75C, ASN77C, ASP150C, ASP178C, ASP189D, ASP193D, ASP198D, ASP206D, ASP215D, ASP217D, ASP222D, ASP236D, ASP254D, ASP258D, ASP63C, CYS378D, CYS57C, GLN197D, GLN65C, GLU105C, GLU136C, GLU155C, GLU176C, GLU196D, GLU234D, GLU239D, GLU241D, GLU242D, GLU260D, GLY112C, GLY115C, GLY11C, GLY161C, GLY162C, GLY167C, GLY171C, GLY173C, GLY230D, GLY233D, GLY238D, GLY259D, GLY261D, GLY377D, GLY51C, GLY64C, GLY68C, HIS245D, ILE108C, ILE114C, ILE146C, ILE168C, ILE214D, ILE255D, LEU107C, LEU165C, LEU175C, LEU182D, LEU183D, LEU192D, LEU200D, LEU226D, LEU231D, LEU244D, LEU249D, LEU251D, LEU265D, LEU32C, LEU387D, LEU72C, LYS154C, LYS170C, LYS253D, LYS280D, LYS284D, MET106C, MET147C, MET174C, MET179C, MET205D, PHE12C, PHE139C, PHE185D, PHE186D, PHE201D, PHE209D, PHE227D, PHE240D, PHE44C, PHE49C, PRO153C, PRO177C, PRO194D, PRO37C, PRO52C, PRO9C, SER110C, SER159C, SER213D, SER219D, SER221D, SER257D, SER34C, SER41C, SER47C, SER53C, THR111C, THR148C, THR149C, THR151C, THR164C, THR184D, THR188D, THR208D, THR216D, THR218D, THR220D, THR223D, THR246D, THR285D, THR30C, THR35C, THR39C, THR45C, THR8C, TYR376D, TYR384D, VAL113C, VAL13C, VAL14C, VAL156C, VAL158C, VAL160C, VAL166C, VAL172C, VAL204D, VAL212D, VAL225D, VAL235D, VAL252D, VAL287D, VAL375D, VAL40C, VAL43C, VAL54C, VAL55C, VAL61C, VAL69C, VAL70C, VAL71C, VAL78C
• C-E: ALA134C, ALA134E, ALA36C, ALA36E, ALA38E, ALA94C, ALA96C, ALA96E, ALA98C, ALA98E, ARG10C, ARG10E, ARG67C, ARG67E, ARG97C, ARG97E, ASP63E, GLN65C, GLN65E, GLU103E, GLU105C, GLU105E, GLU131C, GLU131E, GLU136C, GLU93C, GLU93E, GLY100C, GLY100E, GLY104E, GLY11C, GLY11E, GLY135C, GLY135E, GLY137C, GLY162C, LEU101C, LEU101E, LEU99C, LEU99E, PHE12C, PRO102C, PRO102E, PRO133C, PRO133E, PRO37C, PRO37E, SER34C, SER34E, THR35C, THR35E, TRP132C, TRP132E, VAL13C, VAL13E, VAL95C
• C-F: ALA232F, ALA36C, ARG10C, ARG191F, ASN229F, ASP189F, GLU136C, GLY11C, GLY230F, GLY233F, LEU231F
• D-E: ALA232D, ALA36E, ARG10E, ARG191D, ARG67E, ASN229D, GLU136E, GLU234D, GLY11E, GLY135E, GLY230D, GLY233D, LEU231D, PHE12E, PRO37E, SER34E, THR35E
• D-F: ALA232D, ALA232F, ARG191D, ASN229D, ASN229F, ASP189D, GLY230D, GLY230F, GLY233D, LEU231D, LEU231F
• E-F: ALA109E, ALA142E, ALA143E, ALA163E, ALA169E, ALA180E, ALA187F, ALA190F, ALA195F, ALA211F, ALA224F, ALA228F, ALA232F, ALA237F, ALA243F, ALA247F, ALA248F, ALA250F, ALA256F, ALA262F, ALA263F, ALA33E, ALA36E, ALA38E, ALA42E, ALA50E, ALA60E, ALA62E, ALA66E, ALA73E, ALA76E, ALA79E, ARG10E, ARG116E, ARG152E, ARG157E, ARG191F, ARG199F, ARG202F, ARG203F, ARG46E, ARG48E, ARG58E, ARG67E, ARG74E, ASN210F, ASN229F, ASN288F, ASN388F, ASN75E, ASN77E, ASP150E, ASP178E, ASP189F, ASP193F, ASP198F, ASP206F, ASP215F, ASP217F, ASP222F, ASP236F, ASP254F, ASP258F, ASP358F, ASP63E, CYS378F, CYS57E, GLN197F, GLN65E, GLU105E, GLU136E, GLU155E, GLU176E, GLU196F, GLU234F, GLU239F, GLU241F, GLU242F, GLU260F, GLY112E, GLY11E, GLY161E, GLY162E, GLY167E, GLY171E, GLY173E, GLY230F, GLY233F, GLY238F, GLY259F, GLY261F, GLY377F, GLY51E, GLY64E, GLY68E, HIS245F, ILE108E, ILE114E, ILE146E, ILE168E, ILE214F, ILE255F, LEU107E, LEU165E, LEU175E, LEU182F, LEU183F, LEU192F, LEU200F, LEU226F, LEU231F, LEU244F, LEU249F, LEU251F, LEU265F, LEU32E, LEU387F, LEU72E, LYS154E, LYS170E, LYS253F, LYS280F, LYS284F, MET106E, MET147E, MET174E, MET179E, MET205F, PHE12E, PHE139E, PHE185F, PHE186F, PHE201F, PHE209F, PHE227F, PHE240F, PHE44E, PHE49E, PRO153E, PRO177E, PRO194F, PRO37E, PRO52E, PRO9E, SER110E, SER159E, SER213F, SER219F, SER221F, SER257F, SER34E, SER41E, SER47E, SER53E, THR111E, THR148E, THR149E, THR151E, THR164E, THR181F, THR184F, THR188F, THR208F, THR216F, THR218F, THR220F, THR223F, THR246F, THR285F, THR30E, THR35E, THR392F, THR39E, THR45E, THR8E, TYR376F, TYR384F, TYR391F, VAL113E, VAL13E, VAL14E, VAL156E, VAL158E, VAL160E, VAL166E, VAL172E, VAL204F, VAL212F, VAL225F, VAL235F, VAL252F, VAL287F, VAL375F, VAL40E, VAL43E, VAL54E, VAL61E, VAL69E, VAL70E, VAL71E, VAL78E
• E-G: ALA134E, ALA17E, ALA180G, ALA22E, ALA50G, ALA62G, ARG141E, ARG144E, ARG26E, ARG46G, ARG48G, ARG58G, ARG74E, ASP23E, ASP24E, ASP27E, ASP63G, GLU59G, GLY25E, PHE44G, PRO18E, SER47G, THR16E, THR45G, VAL54G, VAL55G
• E-H: ALA195H, ALA277H, ARG141E, ARG144E, ARG152E, ARG157E, ARG199H, ARG202H, ARG203H, ARG26E, ARG274H, ARG281H, ASP140E, ASP198H, ASP206H, ASP275H, ASP27E, GLU136E, GLU155E, GLY135E, GLY137E, GLY138E, MET147E, PHE139E, PRO153E, PRO194H, THR151E, THR8E
• F-G: ARG46G, TYR391F
• F-H: ALA262F, ALA263F, ALA273H, ALA352F, ALA367H, ALA369H, ARG274H, ARG281H, ARG323H, ARG356F, ARG386F, ASP275H, ASP315H, ASP316H, ASP318H, ASP320H, ASP358F, ASP379F, CYS299F, GLN278H, GLN321H, GLU322H, GLU353F, GLU359F, GLU382F, GLY261F, GLY298F, GLY357F, GLY383F, HIS297F, ILE319H, ILE368H, LEU265F, LEU355F, LEU366H, LYS264F, SER257F, SER314H, THR317H, THR381F, VAL324H
• G-H: ALA109G, ALA142G, ALA143G, ALA145G, ALA163G, ALA169G, ALA180G, ALA187H, ALA190H, ALA195H, ALA211H, ALA224H, ALA228H, ALA232H, ALA237H, ALA243H, ALA247H, ALA248H, ALA250H, ALA256H, ALA262H, ALA33G, ALA36G, ALA38G, ALA42G, ALA50G, ALA60G, ALA62G, ALA66G, ALA73G, ALA76G, ALA79G, ARG10G, ARG152G, ARG157G, ARG191H, ARG199H, ARG202H, ARG203H, ARG46G, ARG48G, ARG58G, ARG67G, ARG74G, ASN210H, ASN229H, ASN288H, ASN388H, ASN75G, ASN77G, ASP150G, ASP178G, ASP189H, ASP193H, ASP198H, ASP206H, ASP215H, ASP217H, ASP222H, ASP236H, ASP254H, ASP258H, ASP358H, ASP63G, CYS378H, CYS57G, GLN197H, GLN65G, GLU105G, GLU136G, GLU155G, GLU176G, GLU196H, GLU234H, GLU239H, GLU241H, GLU242H, GLU260H, GLU359H, GLY112G, GLY11G, GLY161G, GLY162G, GLY167G, GLY171G, GLY173G, GLY230H, GLY233H, GLY238H, GLY259H, GLY261H, GLY377H, GLY51G, GLY64G, GLY68G, HIS245H, ILE108G, ILE114G, ILE146G, ILE168G, ILE214H, ILE255H, LEU107G, LEU165G, LEU175G, LEU182H, LEU183H, LEU192H, LEU200H, LEU226H, LEU231H, LEU244H, LEU249H, LEU251H, LEU265H, LEU32G, LEU387H, LEU72G, LYS154G, LYS170G, LYS253H, LYS280H, LYS284H, MET106G, MET147G, MET174G, MET179G, MET205H, PHE12G, PHE139G, PHE185H, PHE186H, PHE201H, PHE209H, PHE227H, PHE240H, PHE44G, PHE49G, PRO153G, PRO177G, PRO194H, PRO37G, PRO52G, PRO9G, SER110G, SER159G, SER213H, SER219H, SER221H, SER257H, SER34G, SER41G, SER47G, SER53G, THR111G, THR148G, THR149G, THR151G, THR164G, THR184H, THR188H, THR208H, THR216H, THR218H, THR220H, THR223H, THR246H, THR285H, THR30G, THR35G, THR39G, THR45G, THR8G, TYR376H, TYR384H, VAL113G, VAL13G, VAL14G, VAL156G, VAL158G, VAL160G, VAL166G, VAL172G, VAL204H, VAL212H, VAL225H, VAL235H, VAL252H, VAL287H, VAL375H, VAL40G, VAL43G, VAL54G, VAL55G, VAL61G, VAL69G, VAL70G, VAL71G, VAL78G