2OZ3

crystal structure of l-rhamnonate dehydratase from azotobacter vinelandii

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 186
  • Norm. En. per Res.: -4.8454
• Hub Node: B(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	-86.407	-110.073	-412.564	-609.044	145	24	8	16966	10	54	66
A-C	-13.4217	8.8795	-63.988	-68.5302	72	1	0	3445	2	24	24
B-C	-130.4734	-128.6719	-642.096	-901.2413	186	25	9	23515	12	56	52
B-D	-16.6995	28.1302	-63.2331	-51.8024	75	3	0	3390	3	25	24
B-E	0.0	5.7716	-0.0665	5.7051	3	0	0	11	0	3	3
B-F	-7.0508	29.0733	-68.9617	-46.9392	33	4	0	2512	0	8	11
C-D	-93.8524	-123.5948	-430.183	-647.6302	142	24	8	17216	10	54	64
C-E	-21.8703	20.1286	-108.664	-110.4057	40	3	0	4029	0	16	17
C-F	0.0	-42.3343	-27.7629	-70.0972	25	0	0	1284	3	14	16
E-F	-74.8814	-127.4762	-650.266	-852.6235	187	20	9	23354	11	56	53
E-G	-22.6574	16.3247	-73.398	-79.7307	74	2	0	3472	3	24	23
F-G	-87.4997	-117.4651	-431.576	-636.5407	145	22	8	17318	10	53	63
F-H	-19.8657	20.2553	-73.8643	-73.4747	76	1	0	3554	3	26	26
G-H	-104.1486	-138.9486	-639.123	-882.2201	183	28	9	23405	12	52	53

Interface residues

• A-B: ALA151A, ALA151B, ALA306A, ALA306B, ALA308A, ALA308B, ALA310A, ALA310B, ALA313A, ALA313B, ALA329A, ALA329B, ARG103A, ARG103B, ARG140A, ARG140B, ARG141A, ARG141B, ARG153A, ARG153B, ARG273A, ARG273B, ARG277A, ARG277B, ARG331A, ARG331B, ARG97A, ARG97B, ASN110A, ASN110B, ASN312A, ASN312B, ASN333A, ASN333B, ASP100A, ASP100B, ASP106A, ASP106B, ASP154A, ASP154B, ASP309A, ASP309B, ASP374A, ASP374B, GLN107A, GLN107B, GLN146A, GLN146B, GLN332A, GLN332B, GLN375A, GLN375B, GLU102A, GLU102B, GLU142A, GLU142B, GLU281A, GLU281B, GLU300A, GLU300B, GLY137A, GLY137B, GLY149A, GLY149B, GLY150A, GLY150B, GLY275A, GLY275B, GLY283B, GLY377A, GLY377B, HIS145A, HIS145B, HIS311A, HIS311B, ILE101A, ILE101B, ILE104A, ILE104B, ILE304A, ILE304B, ILE3A, ILE3B, LEU136A, LEU136B, LEU147A, LEU147B, LEU148A, LEU148B, LEU1A, LEU1B, LEU280A, LEU280B, LEU301A, LEU301B, LEU302A, LEU302B, LEU307A, LEU307B, LEU370A, LEU370B, LEU373A, LEU373B, LYS138A, LYS138B, LYS303A, LYS303B, PHE276A, PHE276B, PRO143A, PRO143B, PRO376A, PRO376B, PRO4A, PRO4B, SER0A, SER0B, SER2A, SER2B, SER305A, SER305B, SER371A, SER371B, THR272A, THR272B, THR299A, THR299B, THR330A, THR330B, THR99A, THR99B, TRP105A, TRP105B, TRP133A, TRP133B, TRP274A, TRP274B, VAL139A, VAL139B, VAL144A, VAL144B, VAL152A, VAL152B, VAL98A, VAL98B
• A-C: ALA151A, ALA228C, ALA258A, ALA258C, ALA310A, ALA313A, ARG153A, ARG202A, ARG226C, ARG229C, ARG232A, ARG232C, ARG255A, ARG256A, ARG256C, ASN222C, ASN257C, ASN312A, ASN333A, ASP154A, ASP208A, ASP220C, ASP246C, ASP247C, ASP286A, CYS285A, GLN157A, GLN332A, GLU188C, GLU189C, GLU253C, GLU43C, GLY187C, GLY235A, GLY250C, GLY261A, GLY283A, HIS311A, ILE174A, ILE287A, LEU219C, LEU221C, LEU227C, LEU236A, LEU243C, LEU254C, LEU314A, LYS192C, LYS237A, LYS40C, PHE209A, PHE336A, PRO184C, PRO207A, PRO244C, PRO259A, PRO259C, PRO335A, PRO42C, SER185C, THR225C, THR260A, THR260C, TRP210A, TRP238A, TRP249C, TYR223C, TYR248C, TYR251C, TYR41C, VAL152A, VAL264A
• B-C: ALA271B, ALA271C, ALA81B, ALA81C, ALA82B, ALA82C, ALA90B, ALA90C, ARG103B, ARG103C, ARG117B, ARG117C, ARG15B, ARG15C, ARG273B, ARG273C, ARG277B, ARG277C, ARG48B, ARG48C, ARG49B, ARG49C, ARG91B, ARG91C, ASN110B, ASN110C, ASN123B, ASN123C, ASN54B, ASN54C, ASP106B, ASP106C, ASP20B, ASP246B, ASP246C, ASP247B, ASP247C, GLN107B, GLN107C, GLU102B, GLU102C, GLU241B, GLU241C, GLU253B, GLU268B, GLU268C, GLU270B, GLU270C, GLU281B, GLU281C, GLU43B, GLU43C, GLU79B, GLU79C, GLU86B, GLU86C, GLY116B, GLY116C, GLY119B, GLY119C, GLY250B, GLY250C, GLY267B, GLY267C, GLY275B, GLY275C, GLY39B, GLY39C, GLY52B, GLY52C, GLY57B, GLY57C, GLY77B, GLY77C, GLY78B, GLY78C, HIS22B, HIS269B, HIS269C, HIS389B, HIS389C, HIS88B, HIS88C, ILE104B, ILE104C, ILE122B, ILE122C, ILE53B, ILE53C, ILE84B, ILE84C, LEU113B, LEU113C, LEU120B, LEU120C, LEU243B, LEU243C, LEU279B, LEU279C, LEU280B, LEU280C, LEU307B, LEU307C, LEU56B, LEU56C, LEU89B, LEU89C, LEU93B, LEU93C, LYS118B, LYS118C, LYS40B, LYS40C, LYS87B, LYS87C, PHE276B, PHE276C, PHE51B, PHE51C, PHE92B, PHE92C, PRO244B, PRO244C, PRO245B, PRO245C, PRO37B, PRO37C, PRO391B, PRO391C, PRO42B, PRO42C, PRO80B, PRO80C, SER111B, SER111C, SER218B, SER218C, SER47B, SER50B, SER50C, THR112B, THR112C, THR124B, THR124C, THR266B, THR266C, THR272B, THR272C, THR36B, THR36C, THR76B, THR76C, TRP105B, TRP105C, TRP216B, TRP216C, TRP249B, TRP249C, TRP274B, TRP274C, TRP294B, TRP294C, TYR109B, TYR109C, TYR114B, TYR114C, TYR115B, TYR115C, TYR21B, TYR248B, TYR248C, TYR251B, TYR392B, TYR392C, TYR41B, TYR41C, TYR44B, TYR44C, TYR83B, TYR83C, VAL121B, VAL121C, VAL13B, VAL13C, VAL55B, VAL55C
• B-D: ALA151D, ALA224B, ALA228B, ALA258B, ALA258D, ALA310D, ALA313D, ARG153D, ARG202D, ARG226B, ARG229B, ARG232B, ARG232D, ARG255D, ARG256B, ARG256D, ARG331D, ASN222B, ASN257B, ASN312D, ASN333D, ASP154D, ASP208D, ASP220B, ASP246B, ASP247B, ASP286D, CYS285D, GLN157D, GLN332D, GLU188B, GLU189B, GLU233D, GLU253B, GLU43B, GLY187B, GLY235D, GLY250B, GLY261D, GLY283D, HIS311D, ILE174D, ILE287D, LEU191B, LEU219B, LEU221B, LEU227B, LEU236D, LEU243B, LEU314D, LYS192B, LYS237D, LYS40B, PHE209D, PHE336D, PRO184B, PRO207D, PRO244B, PRO259B, PRO259D, PRO335D, PRO42B, SER185B, THR225B, THR260B, THR260D, TRP210D, TRP238D, TRP249B, TYR223B, TYR248B, TYR251B, TYR41B, VAL152D, VAL264D
• B-E: GLU395B, GLU395E, THR393B
• B-F: ARG15B, ARG15F, ARG390B, ASN383B, ASN383F, CYS386B, CYS386F, GLN356B, GLN356F, GLN387B, GLN387F, GLU385B, GLU385F, GLU79B, GLY16B, HIS354B, HIS354F, HIS389B, HIS389F, LEU14B, LEU14F, LEU358F, LEU388B, LEU388F, PHE12B, PRO355B, PRO355F, PRO384B, PRO384F, PRO391B, THR58B, VAL13B, VAL60B
• C-D: ALA151C, ALA151D, ALA306C, ALA306D, ALA308C, ALA308D, ALA310C, ALA310D, ALA313C, ALA313D, ALA329C, ALA329D, ARG103C, ARG103D, ARG140C, ARG140D, ARG141C, ARG141D, ARG153C, ARG153D, ARG273C, ARG273D, ARG277C, ARG277D, ARG331C, ARG331D, ARG97C, ARG97D, ASN110C, ASN110D, ASN312C, ASN312D, ASN333C, ASN333D, ASP100C, ASP100D, ASP106C, ASP106D, ASP154C, ASP154D, ASP309C, ASP309D, ASP374C, ASP374D, GLN107C, GLN107D, GLN146C, GLN146D, GLN332C, GLN332D, GLN375C, GLN375D, GLU102C, GLU102D, GLU142C, GLU142D, GLU281C, GLU281D, GLU300C, GLU300D, GLY137C, GLY137D, GLY149C, GLY149D, GLY150C, GLY150D, GLY275C, GLY283D, GLY377C, GLY377D, HIS145C, HIS145D, HIS311C, HIS311D, ILE101C, ILE101D, ILE104C, ILE104D, ILE304C, ILE304D, ILE3C, ILE3D, LEU136C, LEU136D, LEU147C, LEU147D, LEU148C, LEU148D, LEU1C, LEU1D, LEU280C, LEU280D, LEU301C, LEU302C, LEU302D, LEU307C, LEU307D, LEU370C, LEU370D, LEU373C, LEU373D, LYS138C, LYS138D, LYS303C, LYS303D, PHE276C, PHE276D, PRO143C, PRO143D, PRO376C, PRO376D, PRO4C, PRO4D, SER0C, SER0D, SER2C, SER2D, SER305C, SER305D, SER371C, SER371D, THR272C, THR299C, THR299D, THR330C, THR330D, THR99C, THR99D, TRP105C, TRP105D, TRP133C, TRP133D, TRP274C, TRP274D, VAL139C, VAL139D, VAL144C, VAL144D, VAL152C, VAL152D, VAL98C, VAL98D
• C-E: ALA11E, ARG10C, ARG10E, ARG15C, ARG390C, ARG390E, ASN383C, ASN383E, CYS386C, CYS386E, GLN387C, GLN387E, GLU385C, GLU385E, GLU62C, GLU62E, GLU79E, GLU86E, HIS389C, HIS389E, HIS394E, LEU14C, LEU14E, LEU358C, LEU382C, LEU382E, LEU388C, LEU388E, LYS87E, PHE12C, PHE12E, PRO384C, PRO384E, PRO391C, PRO391E, THR393E, TYR392E, VAL13C, VAL13E, VAL60C
• C-F: ARG10F, ARG15F, ARG390C, ARG390F, GLN8C, GLN8F, GLU395C, GLU395F, GLU86F, GLY396C, HIS389F, HIS394C, HIS394F, LEU388F, LYS87C, LYS87F, PHE12F, PRO391C, PRO391F, THR393C, THR393F, TYR392C, TYR392F, TYR83C, VAL9F
• E-F: ALA271E, ALA271F, ALA81E, ALA81F, ALA82E, ALA82F, ALA90E, ALA90F, ALA96E, ARG103E, ARG103F, ARG117E, ARG117F, ARG15E, ARG273E, ARG273F, ARG277E, ARG277F, ARG48E, ARG48F, ARG49E, ARG49F, ARG91E, ARG91F, ASN110E, ASN110F, ASN123E, ASN123F, ASN54E, ASN54F, ASP106E, ASP106F, ASP20E, ASP246E, ASP246F, ASP247E, ASP247F, GLN107E, GLN107F, GLU102E, GLU102F, GLU241E, GLU241F, GLU253E, GLU268E, GLU268F, GLU270E, GLU270F, GLU281E, GLU281F, GLU395F, GLU43E, GLU43F, GLU79E, GLU79F, GLU86E, GLU86F, GLY116E, GLY116F, GLY119E, GLY119F, GLY250E, GLY250F, GLY267E, GLY267F, GLY275E, GLY275F, GLY39E, GLY39F, GLY52E, GLY52F, GLY57E, GLY57F, GLY77E, GLY77F, GLY78E, GLY78F, HIS22E, HIS269E, HIS269F, HIS389F, HIS88E, HIS88F, ILE104E, ILE104F, ILE122E, ILE122F, ILE53E, ILE53F, ILE84E, ILE84F, LEU113E, LEU113F, LEU120E, LEU120F, LEU243E, LEU243F, LEU279E, LEU279F, LEU280E, LEU280F, LEU307F, LEU56E, LEU56F, LEU89E, LEU89F, LEU93E, LEU93F, LYS118E, LYS118F, LYS40E, LYS40F, LYS87E, LYS87F, PHE276E, PHE276F, PHE51E, PHE51F, PHE92E, PHE92F, PRO244E, PRO244F, PRO245E, PRO245F, PRO37E, PRO37F, PRO391E, PRO391F, PRO42E, PRO42F, PRO80E, PRO80F, SER111E, SER111F, SER218E, SER218F, SER47E, SER47F, SER50E, SER50F, THR112E, THR112F, THR124E, THR124F, THR266F, THR272E, THR272F, THR36E, THR36F, THR58F, THR76E, THR76F, TRP105E, TRP105F, TRP216E, TRP216F, TRP249E, TRP249F, TRP274E, TRP274F, TRP294E, TRP294F, TYR109E, TYR109F, TYR114E, TYR114F, TYR115E, TYR115F, TYR21E, TYR248E, TYR248F, TYR251F, TYR392E, TYR392F, TYR41E, TYR41F, TYR44E, TYR44F, TYR83E, TYR83F, VAL121E, VAL121F, VAL13E, VAL13F, VAL55E, VAL55F, VAL85F
• E-G: ALA151G, ALA224E, ALA228E, ALA258E, ALA258G, ALA310G, ALA313G, ARG153G, ARG202G, ARG226E, ARG229E, ARG229G, ARG232E, ARG232G, ARG255G, ARG256E, ARG256G, ARG331G, ASN222E, ASN257E, ASN312G, ASN333G, ASP154G, ASP208G, ASP220E, ASP246E, ASP247E, ASP286G, CYS285G, GLN157G, GLN332G, GLU188E, GLU189E, GLU253E, GLU43E, GLY187E, GLY235G, GLY250E, GLY261G, GLY283G, HIS311G, ILE174G, ILE287G, LEU191E, LEU219E, LEU221E, LEU227E, LEU236G, LEU243E, LEU314G, LYS192E, LYS237G, LYS40E, PHE209G, PHE336G, PRO184E, PRO207G, PRO244E, PRO259E, PRO259G, PRO335G, PRO42E, SER185E, THR225E, THR260G, TRP210G, TRP238G, TRP249E, TYR223E, TYR248E, TYR251E, TYR41E, VAL152G, VAL264G
• F-G: ALA151F, ALA151G, ALA306F, ALA306G, ALA308F, ALA308G, ALA310F, ALA310G, ALA313F, ALA313G, ALA329F, ALA329G, ARG103F, ARG103G, ARG140F, ARG140G, ARG141F, ARG141G, ARG153F, ARG153G, ARG273F, ARG273G, ARG277F, ARG277G, ARG331F, ARG331G, ARG97F, ARG97G, ASN110F, ASN110G, ASN312F, ASN312G, ASN333F, ASN333G, ASP100F, ASP100G, ASP106F, ASP106G, ASP154F, ASP154G, ASP309F, ASP309G, ASP374F, ASP374G, GLN107F, GLN107G, GLN146F, GLN146G, GLN332F, GLN332G, GLN375F, GLN375G, GLU102F, GLU102G, GLU142F, GLU142G, GLU155G, GLU281F, GLU281G, GLU300F, GLU300G, GLY137F, GLY137G, GLY149F, GLY149G, GLY150F, GLY150G, GLY275F, GLY275G, GLY283F, GLY377F, GLY377G, HIS145F, HIS145G, HIS311F, HIS311G, ILE101F, ILE101G, ILE104F, ILE104G, ILE304F, ILE304G, ILE3F, ILE3G, LEU136F, LEU136G, LEU147F, LEU147G, LEU148F, LEU148G, LEU1F, LEU1G, LEU280F, LEU280G, LEU301F, LEU302F, LEU302G, LEU307F, LEU307G, LEU370F, LEU370G, LEU373F, LEU373G, LYS138F, LYS138G, LYS303F, LYS303G, PHE276F, PHE276G, PRO143F, PRO143G, PRO376F, PRO376G, PRO4F, PRO4G, SER0F, SER0G, SER2F, SER2G, SER305F, SER305G, SER371F, SER371G, THR272F, THR272G, THR299F, THR299G, THR330F, THR330G, THR99F, THR99G, TRP105F, TRP105G, TRP133F, TRP133G, TRP274F, TRP274G, VAL139F, VAL139G, VAL144F, VAL144G, VAL152F, VAL152G, VAL98F, VAL98G
• F-H: ALA151F, ALA224H, ALA228H, ALA258F, ALA258H, ALA310F, ALA313F, ARG153F, ARG202F, ARG226H, ARG229F, ARG229H, ARG232F, ARG232H, ARG255F, ARG256F, ARG256H, ARG331F, ASN222H, ASN257H, ASN312F, ASN333F, ASP154F, ASP208F, ASP220H, ASP246H, ASP247H, ASP286F, CYS285F, GLN157F, GLN332F, GLU188H, GLU189H, GLU253H, GLU43H, GLY187H, GLY235F, GLY250H, GLY261F, GLY283F, HIS311F, ILE174F, ILE287F, LEU191H, LEU211F, LEU221H, LEU227H, LEU236F, LEU243H, LEU254H, LEU314F, LYS192H, LYS237F, LYS40H, PHE209F, PHE336F, PRO184H, PRO207F, PRO244H, PRO259F, PRO259H, PRO335F, PRO42H, SER185H, THR225H, THR260F, THR260H, TRP210F, TRP238F, TRP249H, TYR223H, TYR248H, TYR251H, TYR41H, VAL152F, VAL264F
• G-H: ALA271G, ALA271H, ALA81G, ALA81H, ALA82G, ALA82H, ALA90G, ALA90H, ARG103G, ARG103H, ARG117G, ARG117H, ARG15G, ARG15H, ARG273G, ARG273H, ARG277G, ARG277H, ARG48G, ARG48H, ARG49G, ARG49H, ARG91G, ARG91H, ASN110G, ASN110H, ASN123G, ASN123H, ASN54G, ASN54H, ASP106G, ASP106H, ASP20G, ASP246G, ASP246H, ASP247G, ASP247H, GLN107G, GLN107H, GLU102G, GLU102H, GLU241G, GLU241H, GLU268G, GLU268H, GLU270G, GLU270H, GLU281G, GLU281H, GLU43G, GLU43H, GLU79G, GLU79H, GLU86G, GLU86H, GLY116G, GLY116H, GLY119G, GLY119H, GLY250G, GLY250H, GLY267G, GLY267H, GLY275G, GLY275H, GLY39G, GLY39H, GLY52G, GLY52H, GLY57G, GLY57H, GLY77G, GLY77H, GLY78G, GLY78H, HIS22G, HIS269G, HIS269H, HIS389G, HIS389H, HIS88G, HIS88H, ILE104G, ILE104H, ILE122G, ILE122H, ILE53G, ILE53H, ILE84G, ILE84H, LEU113G, LEU113H, LEU120G, LEU120H, LEU243G, LEU243H, LEU279G, LEU279H, LEU280G, LEU280H, LEU307G, LEU307H, LEU56G, LEU56H, LEU89G, LEU89H, LEU93G, LEU93H, LYS118G, LYS118H, LYS40G, LYS40H, LYS87G, LYS87H, PHE276G, PHE276H, PHE51G, PHE51H, PHE92G, PHE92H, PRO244G, PRO244H, PRO245G, PRO245H, PRO37G, PRO37H, PRO391G, PRO391H, PRO42G, PRO42H, PRO80G, PRO80H, SER111G, SER111H, SER218G, SER218H, SER50G, SER50H, THR112G, THR112H, THR124G, THR124H, THR266H, THR272G, THR272H, THR36G, THR36H, THR76G, THR76H, TRP105G, TRP105H, TRP216G, TRP216H, TRP249G, TRP249H, TRP274G, TRP274H, TRP294G, TRP294H, TYR109G, TYR109H, TYR114G, TYR114H, TYR115G, TYR115H, TYR21G, TYR248G, TYR248H, TYR392G, TYR392H, TYR41G, TYR41H, TYR44G, TYR44H, TYR83G, TYR83H, VAL121G, VAL121H, VAL13G, VAL13H, VAL55G, VAL55H, VAL85G