3NXK

crystal structure of probable cytoplasmic l-asparaginase from campylobacter jejuni

• Total interactions analyzed: 28
• Total true interactions: 13
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 198
  • Norm. En. per Res.: -3.8641
• 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	-91.4652	13.1161	-267.778	-346.1271	105	14	9	11091	2	22	22
A-C	-29.7321	8.2683	-145.506	-166.9699	68	7	7	6292	0	20	16
A-D	-134.2536	-4.4032	-626.437	-765.0938	198	26	22	23286	5	53	40
B-C	-125.7455	-7.0103	-626.533	-759.2888	200	36	22	23280	4	56	41
B-D	-47.3337	7.7412	-159.501	-199.0935	68	10	6	6663	0	19	14
C-D	-58.7098	8.8139	-265.387	-315.2829	101	35	9	11299	4	22	21
C-H	0.0	0.0	-0.0512	-0.0512	2	0	0	26	0	2	1
E-F	-24.5976	10.4132	-183.764	-197.9484	75	8	7	7837	4	22	18
E-G	-43.5922	8.1755	-177.75	-213.1667	66	7	7	6872	0	19	17
E-H	-88.3092	-6.8599	-630.207	-725.3761	191	26	22	22898	4	54	38
F-G	-101.6986	-4.6179	-615.46	-721.7765	190	37	21	22926	4	53	39
F-H	-54.0	8.3469	-178.414	-224.067	67	8	8	6888	0	20	15
G-H	-28.9704	3.4183	-266.91	-292.4622	103	13	8	10871	4	22	21

Interface residues

• A-B: ALA120A, ALA120B, ALA126A, ALA126B, ALA129A, ALA129B, ALA140A, ALA140B, ALA176A, ALA176B, ALA26A, ALA26B, ALA43A, ALA43B, ARG122A, ARG122B, ARG48A, ASN134A, ASN134B, ASN137A, ASN137B, ASN157A, ASN157B, ASN173A, ASN173B, ASP130A, ASP130B, ASP158A, ASP158B, ASP175A, ASP175B, ASP184A, ASP184B, ASP190A, ASP190B, ASP49A, ASP49B, GLN46A, GLN46B, GLY131A, GLY131B, GLY191A, GLY191B, GLY29A, GLY29B, HIS170A, HIS170B, ILE127A, ILE127B, ILE156A, ILE156B, ILE188A, ILE188B, ILE21B, ILE25A, ILE25B, ILE47A, ILE47B, LEU135A, LEU135B, LEU172A, LEU172B, LEU50A, LEU50B, LYS133A, LYS133B, LYS159A, LYS159B, LYS192A, LYS192B, PHE194A, PHE194B, PRO123A, PRO123B, PRO132A, PRO132B, PRO45A, PRO45B, SER124A, SER128A, SER128B, SER171A, SER171B, SER23A, SER23B, THR24A, THR24B, THR27A, THR27B, THR28A, THR28B, TYR136A, TYR136B, TYR187A, TYR187B, TYR196A, TYR196B, TYR30A, TYR30B, VAL174A, VAL174B, VAL189A, VAL189B, VAL44A, VAL44B
• A-C: ALA253A, ALA253C, ALA282A, ALA282C, ALA286A, ALA286C, ARG164A, ARG164C, ASN197A, ASN197C, ASN198A, ASN198C, ASP181A, ASP181C, ASP184A, ASP184C, ASP190A, ASP190C, ASP301A, ASP301C, CYS284A, CYS284C, GLU146A, GLU146C, GLU300A, GLU300C, GLY165A, GLY165C, GLY183A, GLY183C, GLY186A, GLY186C, GLY283A, GLY283C, ILE200A, ILE200C, LEU185A, LEU185C, LEU329A, LEU329C, LYS150A, LYS150C, LYS159A, LYS159C, LYS201A, LYS201C, PHE182A, PHE182C, PHE194A, PHE194C, PHE195A, PHE195C, PRO180A, PRO180C, SER162A, SER162C, SER179A, SER179C, TYR187A, TYR187C, TYR196A, TYR196C, VAL189A, VAL189C, VAL199A, VAL199C, VAL285A, VAL285C
• A-D: ALA176A, ALA176D, ALA234A, ALA234D, ALA235A, ALA235D, ALA237A, ALA237D, ALA249A, ALA249D, ALA253A, ALA253D, ALA282A, ALA282D, ALA286A, ALA286D, ALA307A, ALA32A, ARG279A, ARG279D, ARG308A, ARG308D, ASN173A, ASN173D, ASN228A, ASN228D, ASN259A, ASN259D, ASN303A, ASN303D, ASN65A, ASN65D, ASP175A, ASP181A, ASP181D, ASP221A, ASP221D, ASP229A, ASP229D, ASP289D, ASP301A, ASP301D, ASP62A, ASP62D, ASP68A, ASP68D, ASP96A, ASP96D, CYS284A, CYS284D, CYS67A, CYS67D, GLN260A, GLN260D, GLN305A, GLN305D, GLU100A, GLU100D, GLU240A, GLU240D, GLU300A, GLU300D, GLU69A, GLU69D, GLU99A, GLU99D, GLY230A, GLY230D, GLY232A, GLY232D, GLY242A, GLY242D, GLY245D, GLY250A, GLY250D, GLY252A, GLY252D, GLY254A, GLY254D, GLY283A, GLY283D, GLY29A, GLY29D, HIS170A, HIS170D, HIS241A, HIS241D, HIS257A, HIS257D, HIS93A, HIS93D, ILE222A, ILE222D, ILE246A, ILE246D, ILE256A, ILE256D, ILE61A, ILE61D, ILE70A, ILE70D, LEU172A, LEU172D, LEU217A, LEU217D, LEU223A, LEU223D, LEU238A, LEU238D, LYS168A, LYS168D, LYS219A, LYS219D, LYS236A, LYS236D, LYS258A, LYS258D, LYS261A, LYS261D, LYS306A, LYS306D, PHE104D, PHE177A, PHE177D, PHE239A, PHE239D, PRO180A, PRO180D, PRO218A, PRO218D, PRO304A, PRO304D, SER171A, SER171D, SER178A, SER178D, SER216D, SER225A, SER225D, SER227A, SER227D, SER231A, SER231D, SER251A, SER251D, SER255A, SER255D, SER277A, SER277D, SER278A, SER278D, SER288A, SER288D, SER63A, SER63D, SER64A, SER64D, THR101A, THR101D, THR169A, THR169D, THR243A, THR243D, THR27A, THR27D, THR28A, THR28D, THR95A, THR95D, THR97A, THR97D, TRP71A, TRP71D, TYR224A, TYR224D, TYR226A, TYR226D, TYR30A, VAL167A, VAL167D, VAL220A, VAL220D, VAL233A, VAL233D, VAL247A, VAL247D, VAL248A, VAL248D, VAL280A, VAL280D, VAL281A, VAL281D, VAL285A, VAL285D, VAL287A, VAL287D, VAL309A, VAL309D
• B-C: ALA176B, ALA176C, ALA234B, ALA234C, ALA235B, ALA235C, ALA237B, ALA237C, ALA249B, ALA249C, ALA253B, ALA253C, ALA282B, ALA282C, ALA286B, ALA286C, ALA307B, ARG279B, ARG279C, ARG308B, ARG308C, ASN173B, ASN173C, ASN228B, ASN228C, ASN259B, ASN259C, ASN303B, ASN303C, ASN65B, ASN65C, ASP175C, ASP181B, ASP181C, ASP221B, ASP221C, ASP229B, ASP229C, ASP289B, ASP289C, ASP301B, ASP301C, ASP62B, ASP62C, ASP68B, ASP68C, ASP96B, ASP96C, CYS284B, CYS284C, CYS67B, CYS67C, GLN260B, GLN260C, GLN305B, GLN305C, GLU100B, GLU100C, GLU240B, GLU240C, GLU300B, GLU300C, GLU69B, GLU69C, GLU99B, GLU99C, GLY230B, GLY230C, GLY232B, GLY232C, GLY242B, GLY242C, GLY245C, GLY250B, GLY250C, GLY252B, GLY252C, GLY254B, GLY254C, GLY283B, GLY283C, GLY29B, GLY29C, HIS170B, HIS170C, HIS241B, HIS241C, HIS257B, HIS257C, HIS93B, HIS93C, ILE222B, ILE222C, ILE246B, ILE246C, ILE256B, ILE256C, ILE61B, ILE61C, ILE70B, ILE70C, LEU172B, LEU172C, LEU217B, LEU217C, LEU223B, LEU223C, LEU238B, LEU238C, LEU72C, LYS168B, LYS168C, LYS219B, LYS219C, LYS236B, LYS236C, LYS258B, LYS258C, LYS261B, LYS261C, LYS306B, LYS306C, PHE104C, PHE177B, PHE177C, PHE239B, PHE239C, PRO180B, PRO180C, PRO218B, PRO304B, PRO304C, SER171B, SER171C, SER178B, SER178C, SER216B, SER216C, SER225B, SER225C, SER227B, SER227C, SER231B, SER231C, SER251B, SER251C, SER255B, SER255C, SER277B, SER277C, SER278B, SER278C, SER288B, SER288C, SER63B, SER63C, SER64B, SER64C, THR101B, THR101C, THR169B, THR169C, THR243B, THR243C, THR27B, THR27C, THR28B, THR28C, THR95B, THR95C, THR97B, THR97C, TRP71B, TRP71C, TYR224B, TYR224C, TYR226B, TYR226C, TYR30B, TYR30C, VAL167B, VAL167C, VAL220B, VAL220C, VAL233B, VAL233C, VAL247B, VAL247C, VAL248B, VAL248C, VAL280B, VAL280C, VAL281B, VAL281C, VAL285B, VAL285C, VAL287B, VAL287C, VAL309B, VAL309C
• B-D: ALA253B, ALA282B, ALA282D, ALA286B, ALA286D, ARG164B, ARG164D, ASN197B, ASN197D, ASN198B, ASN198D, ASP181B, ASP181D, ASP184B, ASP184D, ASP301B, ASP301D, CYS284B, CYS284D, GLU146B, GLU146D, GLU300B, GLU300D, GLY165B, GLY165D, GLY183B, GLY183D, GLY186B, GLY186D, GLY283B, GLY283D, ILE200B, ILE200D, LEU185B, LEU185D, LEU302D, LEU329B, LEU329D, LYS150B, LYS150D, LYS159B, LYS159D, LYS192B, LYS192D, LYS201B, LYS201D, PHE182B, PHE182D, PHE194B, PHE194D, PHE195B, PHE195D, PRO180B, PRO180D, SER162B, SER162D, SER179B, SER179D, TYR187B, TYR187D, TYR196B, TYR196D, VAL189B, VAL189D, VAL199B, VAL199D, VAL285B, VAL285D
• C-D: ALA126C, ALA126D, ALA129C, ALA129D, ALA140C, ALA140D, ALA176C, ALA176D, ALA26C, ALA26D, ALA43C, ALA43D, ARG122C, ARG122D, ASN134C, ASN134D, ASN137C, ASN137D, ASN157C, ASN157D, ASN173C, ASN173D, ASP130C, ASP130D, ASP158C, ASP158D, ASP175C, ASP175D, ASP184C, ASP184D, ASP190C, ASP190D, ASP49C, ASP49D, GLN46C, GLN46D, GLY131C, GLY131D, GLY191C, GLY191D, GLY29C, HIS170C, HIS170D, ILE127C, ILE127D, ILE156C, ILE156D, ILE188C, ILE188D, ILE21C, ILE21D, ILE25C, ILE25D, ILE47C, ILE47D, LEU135C, LEU135D, LEU172C, LEU172D, LEU50C, LEU50D, LYS133C, LYS133D, LYS159C, LYS159D, LYS192C, LYS192D, PHE194C, PHE194D, PRO123C, PRO123D, PRO132C, PRO132D, PRO45C, PRO45D, SER128C, SER128D, SER171C, SER171D, SER23C, SER23D, THR125D, THR24C, THR24D, THR27C, THR27D, THR28C, THR28D, TYR136C, TYR136D, TYR187C, TYR187D, TYR196C, TYR196D, TYR30C, VAL174C, VAL174D, VAL189C, VAL189D, VAL44C, VAL44D
• C-H: LYS293C, LYS293H
• E-F: ALA120F, ALA126E, ALA126F, ALA129E, ALA129F, ALA176E, ALA176F, ALA43E, ALA43F, ARG122E, ARG122F, ASN134E, ASN134F, ASN137E, ASN137F, ASN157E, ASN157F, ASN173E, ASN173F, ASP130E, ASP130F, ASP158E, ASP158F, ASP175E, ASP175F, ASP184E, ASP184F, ASP190E, ASP190F, GLN46E, GLN46F, GLY131E, GLY131F, HIS170E, HIS170F, ILE127E, ILE127F, ILE156E, ILE156F, ILE188E, ILE188F, ILE47E, ILE47F, LEU135E, LEU135F, LEU172E, LEU172F, LYS133E, LYS133F, LYS159E, LYS159F, PHE194E, PHE194F, PRO123E, PRO123F, PRO132E, PRO132F, PRO45E, PRO45F, SER128E, SER128F, SER171E, SER171F, TYR136E, TYR136F, TYR187E, TYR187F, TYR196E, TYR196F, VAL174E, VAL174F, VAL189E, VAL189F, VAL44E, VAL44F
• E-G: ALA253G, ALA282E, ALA282G, ALA286E, ALA286G, ARG164E, ARG164G, ASN197E, ASN197G, ASN198E, ASN198G, ASP181E, ASP181G, ASP184E, ASP184G, ASP190E, ASP301E, ASP301G, CYS284E, CYS284G, GLU146E, GLU146G, GLU300E, GLU300G, GLY165E, GLY165G, GLY183E, GLY183G, GLY186E, GLY186G, GLY283E, GLY283G, ILE200E, ILE200G, LEU185E, LEU185G, LEU329E, LEU329G, LYS150E, LYS150G, LYS159E, LYS159G, LYS201E, LYS201G, PHE182E, PHE182G, PHE194E, PHE194G, PHE195E, PHE195G, PRO180E, PRO180G, SER162E, SER162G, SER179E, SER179G, TYR187E, TYR187G, TYR196E, TYR196G, VAL189E, VAL189G, VAL199E, VAL199G, VAL285E, VAL285G
• E-H: ALA176E, ALA176H, ALA234E, ALA234H, ALA235E, ALA235H, ALA237E, ALA237H, ALA249E, ALA249H, ALA253E, ALA253H, ALA282E, ALA282H, ALA286E, ALA286H, ARG279E, ARG279H, ARG308E, ARG308H, ASN173E, ASN173H, ASN228E, ASN228H, ASN259E, ASN259H, ASN303E, ASN303H, ASN65E, ASN65H, ASP175E, ASP175H, ASP181E, ASP181H, ASP221E, ASP221H, ASP229E, ASP229H, ASP289E, ASP301E, ASP301H, ASP62E, ASP62H, ASP68E, ASP68H, ASP96E, ASP96H, CYS284E, CYS284H, CYS67E, CYS67H, GLN260E, GLN260H, GLN305E, GLN305H, GLU100E, GLU100H, GLU240E, GLU240H, GLU300E, GLU300H, GLU69E, GLU69H, GLU99E, GLU99H, GLY230E, GLY230H, GLY232E, GLY232H, GLY242E, GLY242H, GLY245H, GLY250E, GLY250H, GLY252E, GLY252H, GLY254E, GLY254H, GLY283E, GLY283H, GLY29H, HIS170E, HIS170H, HIS241E, HIS241H, HIS257E, HIS257H, HIS93E, HIS93H, ILE222E, ILE222H, ILE246E, ILE246H, ILE256E, ILE256H, ILE61E, ILE61H, ILE70E, ILE70H, LEU172E, LEU172H, LEU217E, LEU217H, LEU223E, LEU223H, LEU238E, LEU238H, LEU72E, LYS168E, LYS168H, LYS219E, LYS219H, LYS236E, LYS236H, LYS258E, LYS258H, LYS261E, LYS261H, LYS306E, LYS306H, PHE104H, PHE177E, PHE177H, PHE239E, PHE239H, PRO180E, PRO180H, PRO218H, PRO304E, PRO304H, SER171E, SER171H, SER178E, SER178H, SER216E, SER225E, SER225H, SER227E, SER227H, SER231E, SER231H, SER251E, SER251H, SER255E, SER255H, SER277E, SER278E, SER278H, SER288E, SER63E, SER63H, SER64E, SER64H, THR101E, THR101H, THR169E, THR169H, THR243E, THR243H, THR27H, THR28H, THR95E, THR95H, THR97E, THR97H, TRP71E, TRP71H, TYR224E, TYR224H, TYR226E, TYR226H, TYR30H, VAL167E, VAL167H, VAL220E, VAL220H, VAL233E, VAL233H, VAL247E, VAL247H, VAL248E, VAL248H, VAL280E, VAL280H, VAL281E, VAL281H, VAL285E, VAL285H, VAL287E, VAL309E, VAL309H
• F-G: ALA176F, ALA176G, ALA234F, ALA234G, ALA235F, ALA235G, ALA237F, ALA237G, ALA249F, ALA249G, ALA253F, ALA253G, ALA282F, ALA282G, ALA286F, ALA286G, ARG279F, ARG279G, ARG308F, ARG308G, ASN173F, ASN173G, ASN228F, ASN228G, ASN259F, ASN259G, ASN303F, ASN303G, ASN65F, ASN65G, ASP175F, ASP175G, ASP181F, ASP181G, ASP221F, ASP221G, ASP229F, ASP229G, ASP289F, ASP301F, ASP301G, ASP62F, ASP62G, ASP68F, ASP68G, ASP96F, ASP96G, CYS284F, CYS284G, CYS67F, CYS67G, GLN260F, GLN260G, GLN305F, GLN305G, GLU100F, GLU100G, GLU240F, GLU240G, GLU300F, GLU300G, GLU69F, GLU69G, GLU99F, GLU99G, GLY230F, GLY230G, GLY232F, GLY232G, GLY242F, GLY242G, GLY245F, GLY250F, GLY250G, GLY252F, GLY252G, GLY254F, GLY254G, GLY283F, GLY283G, GLY29G, HIS170F, HIS170G, HIS241F, HIS241G, HIS257F, HIS257G, HIS93F, HIS93G, ILE222F, ILE222G, ILE246F, ILE246G, ILE256F, ILE256G, ILE61F, ILE61G, ILE70F, ILE70G, LEU172F, LEU172G, LEU217F, LEU217G, LEU223F, LEU223G, LEU238F, LEU238G, LEU72F, LYS168F, LYS168G, LYS219F, LYS219G, LYS236F, LYS236G, LYS258F, LYS258G, LYS261F, LYS261G, LYS306F, LYS306G, PHE104F, PHE177F, PHE177G, PHE239F, PHE239G, PRO180F, PRO180G, PRO218F, PRO218G, PRO304F, PRO304G, SER171F, SER171G, SER178F, SER178G, SER216F, SER225F, SER225G, SER227F, SER227G, SER231F, SER231G, SER251F, SER251G, SER255F, SER255G, SER277F, SER277G, SER278F, SER278G, SER288F, SER63F, SER63G, SER64F, SER64G, THR101F, THR101G, THR169F, THR169G, THR243F, THR243G, THR27G, THR28G, THR95F, THR95G, THR97F, THR97G, TRP71F, TRP71G, TYR224F, TYR224G, TYR226F, TYR226G, VAL167F, VAL167G, VAL220F, VAL220G, VAL233F, VAL233G, VAL247F, VAL247G, VAL280F, VAL280G, VAL281F, VAL281G, VAL285F, VAL285G, VAL287F, VAL309F, VAL309G
• F-H: ALA253F, ALA282F, ALA282H, ALA286F, ALA286H, ARG164F, ARG164H, ASN197F, ASN197H, ASN198F, ASN198H, ASP181F, ASP181H, ASP184F, ASP184H, ASP190H, ASP301F, ASP301H, CYS284F, CYS284H, GLU146F, GLU146H, GLU300F, GLU300H, GLY165F, GLY165H, GLY183F, GLY183H, GLY186F, GLY186H, GLY283F, GLY283H, ILE200F, ILE200H, LEU185F, LEU185H, LEU329F, LEU329H, LYS150F, LYS150H, LYS159F, LYS159H, LYS192F, LYS201F, LYS201H, PHE182F, PHE182H, PHE194F, PHE194H, PHE195F, PHE195H, PRO180F, PRO180H, SER162F, SER162H, SER179F, SER179H, TYR187F, TYR187H, TYR196F, TYR196H, VAL189F, VAL189H, VAL199F, VAL199H, VAL285F, VAL285H
• G-H: ALA120H, ALA126G, ALA126H, ALA129G, ALA129H, ALA140G, ALA140H, ALA176G, ALA176H, ALA26G, ALA26H, ALA43G, ALA43H, ARG122G, ARG122H, ASN134G, ASN134H, ASN137G, ASN137H, ASN157G, ASN157H, ASN173G, ASN173H, ASP130G, ASP130H, ASP158G, ASP158H, ASP175G, ASP175H, ASP184G, ASP184H, ASP190G, ASP190H, ASP22H, ASP49G, ASP49H, GLN46G, GLN46H, GLY131G, GLY131H, GLY191G, GLY191H, GLY29H, HIS170G, HIS170H, ILE127G, ILE127H, ILE156G, ILE156H, ILE188G, ILE188H, ILE21G, ILE21H, ILE25G, ILE25H, ILE47G, ILE47H, LEU135G, LEU135H, LEU172G, LEU172H, LEU50G, LEU50H, LYS133G, LYS133H, LYS159G, LYS159H, LYS192G, LYS192H, PHE194G, PHE194H, PRO123G, PRO123H, PRO132G, PRO132H, PRO45G, PRO45H, SER128G, SER128H, SER171G, SER171H, SER23G, SER23H, THR125G, THR24G, THR24H, THR27G, THR27H, THR28G, THR28H, TYR136G, TYR136H, TYR187G, TYR187H, TYR196G, TYR196H, TYR30H, VAL174G, VAL174H, VAL189G, VAL189H, VAL44G, VAL44H