3S4T

crystal structure of putative amidohydrolase-2 (efi-target 500288)from polaromonas sp. js666

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 251
  • Norm. En. per Res.: -4.6304
• Hub Node: A(3)

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	-105.4257	-103.0062	-944.347	-1152.7789	253	32	9	34363	10	74	57
A-C	-8.5764	28.749	-109.8	-89.6274	59	1	6	5274	4	36	29
A-D	0.0	0.0	-39.4384	-39.4384	28	1	0	1860	0	2	3
B-C	0.0	0.0	-41.4799	-41.4799	28	1	0	1906	0	2	3
B-D	-17.4947	24.6045	-112.684	-105.5742	61	4	5	5335	4	36	29
C-D	-117.8377	-104.7655	-932.157	-1154.7602	250	31	9	34251	10	72	57
C-F	0.0	0.0	-0.0285	-0.0285	2	0	0	5	0	0	0
D-E	0.0	0.0	-0.0066	-0.0066	2	0	0	4	0	0	0
D-F	0.0	0.0	-2.0888	-2.0888	4	1	0	65	0	0	0
D-G	-7.2967	-24.5268	-47.8349	-79.6584	35	3	0	2097	1	19	18
E-F	-118.8573	-105.0029	-938.375	-1162.2352	251	34	9	34277	10	72	57
E-G	-9.2863	28.9295	-107.045	-87.4019	60	2	5	5207	4	36	30
E-H	0.0	0.0	-40.083	-40.083	28	1	0	1877	0	2	3
F-G	0.0	0.0	-40.4195	-40.4195	28	2	0	1879	0	2	3
F-H	-10.7398	26.191	-108.298	-92.8468	60	3	6	5318	4	36	29
G-H	-109.5544	-110.3676	-950.556	-1170.478	253	34	9	34542	10	73	58

Interface residues

• A-B: ALA137A, ALA137B, ALA173A, ALA173B, ALA180A, ALA180B, ALA188A, ALA188B, ALA194A, ALA194B, ALA197A, ALA197B, ALA235A, ALA235B, ALA245A, ALA245B, ALA273A, ALA273B, ALA296A, ALA296B, ARG174A, ARG174B, ARG199A, ARG199B, ARG229A, ARG229B, ARG233A, ARG233B, ARG266A, ARG266B, ARG33A, ARG33B, ARG35A, ARG35B, ARG42A, ARG42B, ASN234A, ASN234B, ASN254A, ASN254B, ASN264A, ASN264B, ASN292A, ASN292B, ASP143A, ASP143B, ASP172A, ASP172B, ASP177A, ASP177B, ASP231A, ASP231B, ASP26A, ASP26B, ASP272A, ASP272B, ASP287A, ASP287B, ASP28A, ASP28B, ASP294A, ASP294B, GLN132A, GLN132B, GLN191A, GLN191B, GLN268A, GLN268B, GLU192A, GLU192B, GLU221A, GLU221B, GLU276A, GLU276B, GLU291A, GLU291B, GLU31A, GLU31B, GLU8A, GLU8B, GLY178A, GLY178B, GLY184A, GLY184B, GLY190A, GLY190B, GLY202A, GLY202B, GLY204A, GLY204B, GLY217A, GLY217B, GLY220A, GLY220B, GLY222A, GLY222B, GLY263A, GLY263B, HIS164A, HIS164B, HIS179A, HIS179B, HIS196A, HIS196B, HIS218A, HIS218B, HIS232A, HIS232B, HIS295A, HIS295B, ILE175A, ILE175B, ILE230A, ILE230B, ILE237A, ILE237B, ILE249A, ILE249B, ILE271A, ILE271B, ILE274A, ILE274B, ILE277A, ILE277B, ILE282A, ILE282B, ILE293A, ILE293B, LEU169A, LEU169B, LEU182A, LEU182B, LEU183A, LEU183B, LEU198A, LEU198B, LEU200A, LEU200B, LEU223A, LEU223B, LEU259A, LEU259B, LEU270A, LEU270B, LEU275A, LEU275B, LEU32A, LEU32B, LEU36A, LEU36B, LYS238A, LYS238B, LYS242A, LYS242B, LYS27A, LYS27B, PHE130A, PHE130B, PHE189A, PHE189B, PHE23A, PHE23B, PHE253A, PHE253B, PHE265A, PHE265B, PHE290A, PHE290B, PRO139A, PRO139B, PRO165A, PRO165B, PRO168A, PRO168B, PRO170A, PRO170B, PRO185A, PRO185B, PRO224A, PRO224B, PRO241A, PRO241B, PRO244A, PRO244B, PRO25A, PRO25B, PRO289A, PRO289B, PRO30A, PRO30B, SER136A, SER136B, SER171A, SER171B, SER203A, SER203B, SER226A, SER226B, SER262A, SER262B, SER304A, SER304B, SER34A, SER34B, THR186A, THR186B, THR193A, THR193B, THR239A, THR239B, THR240A, THR240B, THR260B, THR261A, THR261B, THR267A, THR267B, THR269A, THR269B, THR286A, THR286B, TRP181A, TRP181B, TRP187A, TRP187B, TRP228A, TRP228B, TRP236A, TRP236B, TRP288A, TRP288B, TRP299A, TRP299B, TRP29A, TRP29B, TYR141A, TYR141B, TYR176A, TYR176B, TYR225A, TYR225B, TYR243A, TYR243B, TYR252A, TYR252B, VAL138A, VAL138B, VAL195A, VAL195B, VAL24A, VAL24B, VAL250A, VAL250B
• A-C: ALA273A, ALA273C, ALA279A, ALA279C, ALA308A, ALA308C, ARG247A, ARG247C, ARG281A, ARG281C, ARG310A, ARG310C, ASN254A, ASN254C, ASP251A, ASP251C, ASP272A, ASP272C, ASP280A, ASP280C, ASP309A, ASP309C, GLU255A, GLU255C, GLU276A, GLU276C, GLU307A, GLU307C, GLY278A, GLY278C, ILE271A, ILE271C, ILE274A, ILE274C, ILE277A, ILE277C, ILE282A, ILE282C, ILE305A, ILE305C, LEU270A, LEU270C, LEU275A, LEU275C, LYS248A, LYS311A, LYS311C, LYS312A, LYS312C, SER304A, SER304C, SER306A, SER306C, THR267A, THR267C, THR303A, THR303C, VAL250A, VAL250C
• A-D: ARG266A, ARG266D, ARG310A, ARG310D, ASN302A, ASN302D, GLN268A, GLN268D, GLU307A, GLU307D, ILE271A, ILE271D, ILE305A, ILE305D, LEU275A, LEU275D, SER304A, SER304D, SER306A, SER306D, THR267A, THR267D, THR269A, THR269D, THR303A, THR303D, TRP299A, TRP299D
• B-C: ARG266B, ARG266C, ARG310B, ARG310C, ASN302B, ASN302C, GLN268B, GLN268C, GLU307B, GLU307C, ILE271B, ILE271C, ILE305B, ILE305C, LEU275B, LEU275C, SER304B, SER304C, SER306B, SER306C, THR267B, THR267C, THR269B, THR269C, THR303B, THR303C, TRP299B, TRP299C
• B-D: ALA273B, ALA273D, ALA279B, ALA279D, ALA308B, ALA308D, ARG247B, ARG247D, ARG281B, ARG281D, ARG310B, ARG310D, ASN254B, ASN254D, ASN317B, ASP251B, ASP251D, ASP272B, ASP272D, ASP280B, ASP280D, ASP309B, ASP309D, GLN268B, GLU255B, GLU255D, GLU276B, GLU276D, GLU307B, GLU307D, GLY278B, GLY278D, ILE271B, ILE271D, ILE274B, ILE274D, ILE277B, ILE277D, ILE282B, ILE282D, ILE305B, ILE305D, LEU270B, LEU270D, LEU275B, LEU275D, LYS248B, LYS311B, LYS311D, LYS312B, LYS312D, SER304B, SER304D, SER306B, SER306D, THR267B, THR267D, THR303B, THR303D, VAL250B, VAL250D
• C-D: ALA137C, ALA137D, ALA173C, ALA173D, ALA180C, ALA180D, ALA188C, ALA188D, ALA194C, ALA194D, ALA197C, ALA197D, ALA235C, ALA235D, ALA245C, ALA245D, ALA273C, ALA273D, ALA296C, ALA296D, ARG174C, ARG174D, ARG199C, ARG199D, ARG229C, ARG229D, ARG233C, ARG233D, ARG266C, ARG266D, ARG33C, ARG33D, ARG35C, ARG35D, ARG42D, ASN234C, ASN234D, ASN254C, ASN254D, ASN264C, ASN264D, ASN292C, ASN292D, ASP143C, ASP143D, ASP172C, ASP172D, ASP177C, ASP177D, ASP231C, ASP231D, ASP26C, ASP26D, ASP272C, ASP272D, ASP287C, ASP287D, ASP28C, ASP28D, ASP294C, ASP294D, GLN132D, GLN191C, GLN191D, GLN268C, GLN268D, GLU192C, GLU192D, GLU221C, GLU221D, GLU276C, GLU276D, GLU291C, GLU291D, GLU31C, GLU31D, GLU8C, GLU8D, GLY178C, GLY178D, GLY184C, GLY184D, GLY190C, GLY190D, GLY202C, GLY202D, GLY204C, GLY204D, GLY217C, GLY217D, GLY220C, GLY220D, GLY222C, GLY222D, GLY263C, GLY263D, HIS164C, HIS164D, HIS179C, HIS179D, HIS196C, HIS196D, HIS218C, HIS218D, HIS232C, HIS232D, HIS295C, HIS295D, ILE175C, ILE175D, ILE230C, ILE230D, ILE237C, ILE237D, ILE249C, ILE249D, ILE271C, ILE271D, ILE274C, ILE274D, ILE277C, ILE277D, ILE282C, ILE282D, ILE293C, ILE293D, LEU140C, LEU169C, LEU169D, LEU182C, LEU182D, LEU183C, LEU183D, LEU198C, LEU198D, LEU200C, LEU200D, LEU223C, LEU223D, LEU259C, LEU259D, LEU270C, LEU270D, LEU275C, LEU275D, LEU32C, LEU32D, LEU36C, LEU36D, LYS238C, LYS238D, LYS242C, LYS242D, LYS27C, LYS27D, PHE130C, PHE130D, PHE189C, PHE189D, PHE23C, PHE23D, PHE253C, PHE253D, PHE265C, PHE265D, PHE290C, PHE290D, PRO139C, PRO139D, PRO165C, PRO165D, PRO168C, PRO168D, PRO170C, PRO170D, PRO185C, PRO185D, PRO224C, PRO224D, PRO241C, PRO241D, PRO244C, PRO244D, PRO25C, PRO25D, PRO289C, PRO289D, PRO30C, PRO30D, SER136D, SER171C, SER171D, SER203C, SER203D, SER226C, SER226D, SER262C, SER262D, SER304C, SER34C, SER34D, THR186C, THR186D, THR193C, THR193D, THR239C, THR239D, THR240C, THR240D, THR260D, THR261C, THR261D, THR267C, THR267D, THR269C, THR269D, THR286C, THR286D, TRP181C, TRP181D, TRP187C, TRP187D, TRP228C, TRP228D, TRP236C, TRP236D, TRP288C, TRP288D, TRP299C, TRP299D, TRP29C, TRP29D, TYR141C, TYR141D, TYR176C, TYR176D, TYR225C, TYR225D, TYR243C, TYR243D, TYR252C, TYR252D, VAL138C, VAL138D, VAL195C, VAL195D, VAL24C, VAL24D, VAL250C, VAL250D
• C-F: HIS295C, TRP1F
• D-E: ASN325E, PRO92D
• D-F: ALA235D, LYS238D, TRP1F, TRP236D
• D-G: ALA110D, ALA156G, ALA327G, ARG111D, ARG115D, ARG326G, ARG78D, ASN320G, ASN325G, ASN74D, ASP158G, CYS116D, GLN319G, GLU107D, GLU112D, GLU114D, GLU119D, GLU119G, GLU75D, GLY121G, LEU108D, LEU113D, LEU120D, LEU120G, LEU157D, LEU157G, LEU324G, LYS118D, LYS118G, LYS323G, THR153D, THR71D, VAL117D, VAL117G, VAL123G
• E-F: ALA137E, ALA137F, ALA173E, ALA173F, ALA180E, ALA180F, ALA188E, ALA188F, ALA194E, ALA194F, ALA197E, ALA197F, ALA235E, ALA235F, ALA245E, ALA245F, ALA273E, ALA273F, ALA296E, ALA296F, ARG174E, ARG174F, ARG199E, ARG199F, ARG229E, ARG229F, ARG233E, ARG233F, ARG266E, ARG266F, ARG33E, ARG33F, ARG35E, ARG35F, ARG42E, ARG42F, ASN234E, ASN234F, ASN254E, ASN254F, ASN264E, ASN264F, ASN292E, ASN292F, ASP143E, ASP143F, ASP172E, ASP172F, ASP177E, ASP177F, ASP231E, ASP231F, ASP26E, ASP26F, ASP272E, ASP272F, ASP287E, ASP287F, ASP28E, ASP28F, ASP294E, ASP294F, GLN132E, GLN132F, GLN191E, GLN191F, GLN268E, GLN268F, GLU192E, GLU192F, GLU221E, GLU221F, GLU276E, GLU276F, GLU291E, GLU291F, GLU31E, GLU31F, GLU8E, GLU8F, GLY178E, GLY178F, GLY184E, GLY184F, GLY190E, GLY190F, GLY202E, GLY202F, GLY204E, GLY204F, GLY217E, GLY217F, GLY220E, GLY220F, GLY222E, GLY222F, GLY263E, GLY263F, HIS164E, HIS164F, HIS179E, HIS179F, HIS196E, HIS196F, HIS218E, HIS218F, HIS232E, HIS232F, HIS295E, HIS295F, ILE175E, ILE175F, ILE230E, ILE230F, ILE237E, ILE237F, ILE249E, ILE249F, ILE271E, ILE271F, ILE274E, ILE274F, ILE277E, ILE277F, ILE282E, ILE282F, ILE293E, ILE293F, LEU169E, LEU169F, LEU182E, LEU182F, LEU183E, LEU183F, LEU198E, LEU198F, LEU200E, LEU200F, LEU223E, LEU223F, LEU259E, LEU259F, LEU270E, LEU270F, LEU275E, LEU275F, LEU32E, LEU32F, LEU36E, LEU36F, LYS238E, LYS238F, LYS242E, LYS242F, LYS27E, LYS27F, PHE130E, PHE130F, PHE189E, PHE189F, PHE23E, PHE23F, PHE253E, PHE253F, PHE265E, PHE265F, PHE290E, PHE290F, PRO139E, PRO139F, PRO165E, PRO165F, PRO168E, PRO168F, PRO170E, PRO170F, PRO185E, PRO185F, PRO224E, PRO224F, PRO241E, PRO241F, PRO244E, PRO244F, PRO25E, PRO25F, PRO289E, PRO289F, PRO30E, PRO30F, SER136E, SER136F, SER171E, SER171F, SER203E, SER203F, SER226E, SER226F, SER262E, SER262F, SER34E, SER34F, THR186E, THR186F, THR193E, THR193F, THR239E, THR239F, THR240E, THR240F, THR260F, THR261E, THR261F, THR267E, THR267F, THR269E, THR269F, THR286E, THR286F, TRP181E, TRP181F, TRP187E, TRP187F, TRP228E, TRP228F, TRP236E, TRP236F, TRP288E, TRP288F, TRP299E, TRP299F, TRP29E, TRP29F, TYR141E, TYR141F, TYR176E, TYR176F, TYR225E, TYR225F, TYR243E, TYR243F, TYR252E, TYR252F, VAL138E, VAL138F, VAL195E, VAL195F, VAL24E, VAL24F, VAL250E, VAL250F
• E-G: ALA273E, ALA273G, ALA279E, ALA279G, ALA308E, ALA308G, ARG247E, ARG247G, ARG281E, ARG281G, ARG310E, ARG310G, ASN254E, ASN254G, ASP251E, ASP251G, ASP272E, ASP272G, ASP280E, ASP280G, ASP309E, ASP309G, GLU255E, GLU255G, GLU276E, GLU276G, GLU307E, GLU307G, GLY278E, GLY278G, ILE271E, ILE271G, ILE274E, ILE274G, ILE277E, ILE277G, ILE282E, ILE282G, ILE305E, ILE305G, LEU270E, LEU270G, LEU275E, LEU275G, LYS248E, LYS248G, LYS311E, LYS311G, LYS312E, LYS312G, SER304E, SER304G, SER306E, SER306G, THR267E, THR267G, THR303E, THR303G, VAL250E, VAL250G
• E-H: ARG266E, ARG266H, ARG310E, ARG310H, ASN302E, ASN302H, GLN268E, GLN268H, GLU307E, GLU307H, ILE271E, ILE271H, ILE305E, ILE305H, LEU275E, LEU275H, SER304E, SER304H, SER306E, SER306H, THR267E, THR267H, THR269E, THR269H, THR303E, THR303H, TRP299E, TRP299H
• F-G: ARG266F, ARG266G, ARG310F, ARG310G, ASN302F, ASN302G, GLN268F, GLN268G, GLU307F, GLU307G, ILE271F, ILE271G, ILE305F, ILE305G, LEU275F, LEU275G, SER304F, SER304G, SER306F, SER306G, THR267F, THR267G, THR269F, THR269G, THR303F, THR303G, TRP299F, TRP299G
• F-H: ALA273F, ALA273H, ALA279F, ALA279H, ALA308F, ALA308H, ARG247F, ARG247H, ARG281F, ARG281H, ARG310F, ARG310H, ASN254F, ASN254H, ASN317H, ASP251F, ASP251H, ASP272F, ASP272H, ASP280F, ASP280H, ASP309F, ASP309H, GLN268F, GLU255F, GLU255H, GLU276F, GLU276H, GLU307F, GLU307H, GLY278F, GLY278H, ILE271F, ILE271H, ILE274F, ILE274H, ILE277F, ILE277H, ILE282F, ILE282H, ILE305F, ILE305H, LEU270F, LEU270H, LEU275F, LEU275H, LYS311F, LYS311H, LYS312F, LYS312H, SER304F, SER304H, SER306F, SER306H, THR267F, THR267H, THR303F, THR303H, VAL250F, VAL250H
• G-H: ALA137G, ALA137H, ALA173G, ALA173H, ALA180G, ALA180H, ALA188G, ALA188H, ALA194G, ALA194H, ALA197G, ALA197H, ALA235G, ALA235H, ALA245G, ALA245H, ALA273G, ALA273H, ALA296G, ALA296H, ARG174G, ARG174H, ARG199G, ARG199H, ARG229G, ARG229H, ARG233G, ARG233H, ARG266G, ARG266H, ARG33G, ARG33H, ARG35G, ARG35H, ARG42G, ARG42H, ASN234G, ASN234H, ASN254G, ASN254H, ASN264G, ASN264H, ASN292G, ASN292H, ASP143G, ASP143H, ASP172G, ASP172H, ASP177G, ASP177H, ASP231G, ASP231H, ASP26G, ASP26H, ASP272G, ASP272H, ASP287G, ASP287H, ASP28G, ASP28H, ASP294G, ASP294H, GLN132G, GLN132H, GLN191G, GLN191H, GLN268G, GLN268H, GLU192G, GLU192H, GLU221G, GLU221H, GLU276G, GLU276H, GLU291G, GLU291H, GLU31G, GLU31H, GLU8G, GLU8H, GLY178G, GLY178H, GLY184G, GLY184H, GLY190G, GLY190H, GLY202G, GLY202H, GLY204G, GLY204H, GLY217G, GLY217H, GLY220G, GLY220H, GLY222G, GLY222H, GLY263G, GLY263H, HIS164G, HIS164H, HIS179G, HIS179H, HIS196G, HIS196H, HIS218G, HIS218H, HIS232G, HIS232H, HIS295G, HIS295H, ILE175G, ILE175H, ILE230G, ILE230H, ILE237G, ILE237H, ILE249G, ILE249H, ILE271G, ILE271H, ILE274G, ILE274H, ILE277G, ILE277H, ILE282G, ILE282H, ILE293G, ILE293H, LEU169G, LEU169H, LEU182G, LEU182H, LEU183G, LEU183H, LEU198G, LEU198H, LEU200G, LEU200H, LEU223G, LEU223H, LEU259G, LEU259H, LEU270G, LEU270H, LEU275G, LEU275H, LEU32G, LEU32H, LEU36G, LEU36H, LYS238G, LYS238H, LYS242G, LYS242H, LYS27G, LYS27H, PHE130G, PHE130H, PHE189G, PHE189H, PHE23G, PHE23H, PHE253G, PHE253H, PHE265G, PHE265H, PHE290G, PHE290H, PRO139G, PRO139H, PRO165G, PRO165H, PRO168G, PRO168H, PRO170G, PRO170H, PRO185G, PRO185H, PRO224G, PRO224H, PRO241G, PRO241H, PRO244G, PRO244H, PRO25G, PRO25H, PRO289G, PRO289H, PRO30G, PRO30H, SER136G, SER136H, SER171G, SER171H, SER203G, SER203H, SER226G, SER226H, SER262G, SER262H, SER304G, SER34G, SER34H, THR186G, THR186H, THR193G, THR193H, THR239G, THR239H, THR240G, THR240H, THR260H, THR261G, THR261H, THR267G, THR267H, THR269G, THR269H, THR286G, THR286H, TRP181G, TRP181H, TRP187G, TRP187H, TRP228G, TRP228H, TRP236G, TRP236H, TRP288G, TRP288H, TRP299G, TRP299H, TRP29G, TRP29H, TYR141G, TYR141H, TYR142H, TYR176G, TYR176H, TYR225G, TYR225H, TYR243G, TYR243H, TYR252G, TYR252H, VAL138G, VAL138H, VAL195G, VAL195H, VAL24G, VAL24H, VAL250G, VAL250H