2EWO

x-ray structure of putative agmatine deiminase q8dw17, northeast structural genomics target smr6.

• Total interactions analyzed: 66
• Total true interactions: 24
• Strongest Interaction:
  • Chains: K-L
  • Int. Res.: 76
  • Norm. En. per Res.: -3.9177
• 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	10.5844	-55.3751	-44.7908	38	12	1	2364	0	2	11
A-D	0.0	14.7564	283.662	298.4184	41	30	0	2367	1	25	23
A-F	-50.951	6.5442	-173.284	-217.6907	90	16	3	8549	2	34	43
A-G	-36.5916	-72.476	-160.295	-269.3626	76	31	5	7460	6	24	21
A-I	0.0	0.0	-0.3132	-0.3132	7	0	0	63	0	7	2
B-F	-38.9382	-72.1137	-157.528	-268.5799	75	27	4	7402	6	24	21
B-G	-46.9336	10.6853	-162.535	-198.7833	87	11	3	8187	2	34	43
C-D	-35.8977	-74.7635	-136.417	-247.0782	76	27	4	7080	6	21	19
C-I	0.0	10.5957	-53.6579	-43.0622	38	8	1	2209	0	2	11
C-J	-48.7311	8.0769	-139.213	-179.8672	89	14	3	8638	2	34	43
D-F	-2.582	-1.1882	321.385	317.6148	39	36	0	2056	0	26	23
D-H	0.0	-31.901	-13.0779	-44.9789	19	7	0	801	4	13	22
D-I	-51.2394	8.9217	-175.073	-217.3908	89	17	3	8727	2	34	43
D-J	0.0	10.3885	-49.9709	-39.5824	37	9	1	2149	0	2	11
D-K	0.0	0.8986	-5.6032	-4.7046	27	0	0	432	0	12	16
E-H	-31.328	-62.6474	-125.297	-219.2724	79	25	4	7446	6	24	27
E-K	-52.2629	7.1822	-173.525	-218.6056	89	19	3	8763	2	34	43
E-L	0.0	10.4377	-53.2904	-42.8527	38	9	1	2192	0	2	11
F-G	0.0	10.2422	-57.7421	-47.4999	38	10	1	2254	0	2	11
F-K	0.0	0.0	-0.0138	-0.0138	2	0	0	1	0	3	1
H-K	0.0	-25.9498	-70.8776	-96.8274	45	6	1	2627	1	9	18
H-L	-44.544	5.2686	-169.476	-208.7515	86	15	4	8601	2	34	42
I-J	-33.784	-73.0912	-159.143	-266.0181	76	29	4	7378	6	22	20
K-L	-49.8731	-74.412	-173.457	-297.7421	76	36	5	7626	6	24	22

Interface residues

• A-B: ALA122A, ALA122B, ALA138A, ALA138B, ARG4A, ARG4B, ASN121A, ASN121B, ASP135A, ASP135B, ASP137A, ASP137B, ASP94A, ASP94B, GLN136A, GLN136B, GLY124A, GLY124B, GLY125A, GLY125B, LEU126A, LEU126B, LEU139A, LEU139B, PHE120A, PHE120B, PHE132A, PHE132B, PRO133A, PRO133B, TRP134A, TRP134B, TYR131A, TYR131B, VAL127A, VAL127B, VAL292A, VAL292B
• A-D: ALA2A, ARG114A, ARG348D, ASN108A, ASN7A, ASN85D, ASP112A, ASP13A, ASP151A, GLN12A, GLU51D, GLU54D, GLU58D, GLU80D, GLY111A, GLY14A, GLY316D, GLY346D, GLY82D, HIS84D, ILE5A, ILE86D, LEU370A, LEU81D, LYS110A, LYS11A, LYS332D, LYS343D, LYS3A, LYS47D, LYS6A, PHE15A, PHE59D, SER57D, SER79D, SER83D, THR8A, THR9A, VAL345D, VAL347D, VAL78D
• A-F: ALA138F, ALA141A, ALA2A, ALA2F, ALA76A, ALA76F, ARG142A, ARG142F, ARG4A, ARG4F, ARG87A, ARG87F, ASN73A, ASN73F, ASN85A, ASN85F, ASN93A, ASN93F, ASP135A, ASP135F, ASP151A, ASP151F, CYS145A, CYS145F, CYS65A, CYS65F, GLN136A, GLN136F, GLU146A, GLU146F, GLU148A, GLU148F, GLU72A, GLU72F, GLU90A, GLU90F, GLY149A, GLY149F, GLY82A, GLY82F, HIS84A, HIS84F, ILE147A, ILE147F, ILE86A, ILE86F, ILE88A, ILE88F, ILE89A, ILE89F, LEU139A, LEU139F, LEU64A, LEU64F, LEU69A, LEU69F, LEU75A, LEU75F, LYS143A, LYS143F, LYS3A, LYS3F, LYS6A, LYS6F, PRO67A, PRO67F, PRO68A, PRO68F, SER63A, SER63F, SER79A, SER79F, SER83A, SER83F, THR92A, THR92F, TRP28A, TRP28F, TYR71A, TYR71F, VAL140A, VAL140F, VAL144A, VAL144F, VAL150A, VAL150F, VAL66A, VAL66F, VAL78A, VAL78F
• A-G: ALA286A, ALA286G, ALA287A, ALA287G, ALA42A, ALA42G, ALA74A, ALA74G, ALA76A, ALA76G, ARG34A, ARG34G, ARG39A, ARG39G, ARG77A, ARG77G, ASN35A, ASN35G, ASN73A, ASN73G, ASP290A, ASP290G, ASP36A, ASP36G, GLN46A, GLN46G, GLN70A, GLN70G, GLU285A, GLU285G, GLU72A, GLU72G, GLU80A, GLU80G, GLY41A, GLY41G, ILE289A, ILE289G, LEU40A, LEU40G, LEU50A, LEU50G, LEU69A, LEU69G, LEU75A, LEU75G, LEU81A, LEU81G, LYS43A, LYS43G, LYS47A, LYS47G, PHE132A, PHE132G, PRO133A, PRO133G, PRO32A, PRO32G, PRO44A, PRO44G, SER79A, SER79G, THR288A, THR288G, TRP31A, TRP31G, TRP33A, TRP33G, TRP38A, TRP38G, TYR291A, TYR291G, VAL292A, VAL292G, VAL78A, VAL78G
• A-I: ASN7A, ASN7I, ASP193A, ASP196A, GLU192A, LYS3I, THR8A
• B-F: ALA286B, ALA286F, ALA287B, ALA287F, ALA42B, ALA42F, ALA74B, ALA74F, ALA76B, ALA76F, ARG34B, ARG34F, ARG39B, ARG39F, ARG77B, ARG77F, ASN35B, ASN35F, ASN73B, ASN73F, ASP290B, ASP290F, ASP36B, ASP36F, GLN46B, GLN46F, GLN70B, GLN70F, GLU285B, GLU285F, GLU72B, GLU72F, GLU80B, GLU80F, GLY41B, GLY41F, ILE289B, ILE289F, LEU40B, LEU40F, LEU50F, LEU69B, LEU69F, LEU75B, LEU75F, LEU81B, LEU81F, LYS43B, LYS43F, LYS47B, LYS47F, PHE132B, PHE132F, PRO133B, PRO133F, PRO32B, PRO32F, PRO44B, PRO44F, SER79B, SER79F, THR288B, THR288F, TRP31B, TRP31F, TRP33B, TRP33F, TRP38B, TRP38F, TYR291B, TYR291F, VAL292B, VAL292F, VAL78B, VAL78F
• B-G: ALA2B, ALA2G, ALA76B, ALA76G, ARG142B, ARG142G, ARG4B, ARG4G, ARG87B, ARG87G, ASN73B, ASN73G, ASN85B, ASN85G, ASN93B, ASN93G, ASP135B, ASP135G, ASP151G, CYS145B, CYS145G, CYS65B, CYS65G, GLN136B, GLN136G, GLU146B, GLU146G, GLU148B, GLU148G, GLU72B, GLU72G, GLU90B, GLU90G, GLY149B, GLY149G, GLY82B, GLY82G, HIS84B, HIS84G, ILE147B, ILE147G, ILE86B, ILE86G, ILE88B, ILE88G, ILE89B, ILE89G, LEU139B, LEU139G, LEU64B, LEU64G, LEU69B, LEU69G, LEU75B, LEU75G, LYS143B, LYS143G, LYS3B, LYS3G, LYS6B, LYS6G, PRO67B, PRO67G, PRO68B, PRO68G, SER152G, SER63B, SER79B, SER79G, SER83B, SER83G, THR92B, THR92G, TRP28B, TRP28G, TYR71B, TYR71G, VAL140B, VAL140G, VAL144B, VAL144G, VAL150B, VAL150G, VAL66B, VAL66G, VAL78B, VAL78G
• C-D: ALA286C, ALA286D, ALA287C, ALA287D, ALA42C, ALA42D, ALA74C, ALA74D, ALA76C, ALA76D, ARG34C, ARG34D, ARG39C, ARG39D, ARG77C, ARG77D, ASN35C, ASN35D, ASN73C, ASN73D, ASP290C, ASP290D, ASP36C, ASP36D, GLN46C, GLN46D, GLN70C, GLN70D, GLU285C, GLU285D, GLU72C, GLU72D, GLU80C, GLU80D, GLY41C, GLY41D, ILE289C, ILE289D, LEU40C, LEU40D, LEU50C, LEU50D, LEU69C, LEU69D, LEU75C, LEU75D, LEU81C, LEU81D, LYS43C, LYS43D, LYS47C, LYS47D, PHE132C, PHE132D, PRO133C, PRO133D, PRO32C, PRO32D, PRO44C, PRO44D, SER79C, SER79D, THR288C, THR288D, TRP31C, TRP31D, TRP33C, TRP33D, TRP38C, TRP38D, TYR291C, TYR291D, VAL292C, VAL292D, VAL78C, VAL78D
• C-I: ALA122C, ALA122I, ALA138C, ALA138I, ARG4C, ARG4I, ASN121C, ASN121I, ASP135C, ASP135I, ASP137C, ASP137I, ASP94C, ASP94I, GLN136C, GLN136I, GLY124C, GLY124I, GLY125C, GLY125I, LEU126C, LEU126I, LEU139C, LEU139I, PHE120C, PHE120I, PHE132C, PHE132I, PRO133C, PRO133I, TRP134C, TRP134I, TYR131C, TYR131I, VAL127C, VAL127I, VAL292C, VAL292I
• C-J: ALA2C, ALA2J, ALA76C, ALA76J, ARG142C, ARG142J, ARG4C, ARG4J, ARG87C, ARG87J, ASN73C, ASN73J, ASN85C, ASN85J, ASN93C, ASN93J, ASP135C, ASP135J, ASP151C, ASP151J, CYS145C, CYS145J, CYS65C, CYS65J, GLN136C, GLN136J, GLU146C, GLU146J, GLU148C, GLU148J, GLU72C, GLU72J, GLU90C, GLU90J, GLY149C, GLY149J, GLY82C, GLY82J, HIS84C, HIS84J, ILE147C, ILE147J, ILE86C, ILE86J, ILE88C, ILE88J, ILE89C, ILE89J, LEU139C, LEU139J, LEU64C, LEU64J, LEU69C, LEU69J, LEU75C, LEU75J, LYS143C, LYS143J, LYS3C, LYS3J, LYS6C, LYS6J, PRO67C, PRO67J, PRO68C, PRO68J, SER152C, SER63C, SER63J, SER79C, SER79J, SER83C, SER83J, THR92C, THR92J, TRP28C, TRP28J, TYR71C, TYR71J, VAL140C, VAL140J, VAL144C, VAL144J, VAL150C, VAL150J, VAL66C, VAL66J, VAL78C, VAL78J
• D-F: ALA55F, ARG231D, ARG342D, ARG342F, ASN315F, ASN85F, ASP341D, ASP341F, GLN333D, GLN336D, GLU234D, GLU337D, GLU54F, GLU58F, GLU60F, GLY316D, GLY316F, GLY317D, GLY82F, HIS84F, ILE318D, ILE56F, ILE86F, LEU370F, LYS23F, LYS270D, LYS343D, LYS343F, PHE339D, PHE59D, PHE59F, PRO232D, PRO268D, PRO340D, PRO340F, PRO61F, SER57F, SER83F, VAL344D
• D-H: ASP193H, ASP196H, ASP241D, ASP256D, GLN249D, GLN260D, GLU192H, GLU195H, HIS188H, LEU189H, LYS156H, LYS191H, LYS197H, LYS211D, LYS243D, LYS252D, THR190H, TYR239D, TYR248D
• D-I: ALA141D, ALA2D, ALA2I, ALA76D, ALA76I, ARG142D, ARG142I, ARG4D, ARG4I, ARG87D, ARG87I, ASN73D, ASN73I, ASN85D, ASN85I, ASN93D, ASN93I, ASP135D, ASP135I, ASP151D, ASP151I, CYS145D, CYS145I, CYS65D, CYS65I, GLN136D, GLN136I, GLU146D, GLU146I, GLU148D, GLU148I, GLU72D, GLU72I, GLU90D, GLU90I, GLY149D, GLY149I, GLY82D, GLY82I, HIS84D, HIS84I, ILE147D, ILE147I, ILE86D, ILE86I, ILE88D, ILE88I, ILE89D, ILE89I, LEU139D, LEU139I, LEU64D, LEU64I, LEU69D, LEU69I, LEU75D, LEU75I, LYS143D, LYS143I, LYS3D, LYS3I, LYS6D, LYS6I, PRO67D, PRO67I, PRO68D, PRO68I, SER63D, SER63I, SER79D, SER79I, SER83D, SER83I, THR92D, THR92I, TRP28D, TRP28I, TYR71D, TYR71I, VAL140D, VAL140I, VAL144D, VAL144I, VAL150D, VAL150I, VAL66D, VAL66I, VAL78D, VAL78I
• D-J: ALA122D, ALA122J, ALA138D, ALA138J, ARG4D, ARG4J, ASN121D, ASN121J, ASP135D, ASP135J, ASP137D, ASP137J, ASP94D, ASP94J, GLN136D, GLN136J, GLY124D, GLY124J, GLY125D, GLY125J, LEU126D, LEU126J, LEU139D, LEU139J, PHE120D, PHE120J, PHE132D, PHE132J, PRO133D, PRO133J, TRP134D, TRP134J, TYR131J, VAL127D, VAL127J, VAL292D, VAL292J
• D-K: ALA264D, ARG267D, ASN203D, ASP13D, ASP212K, GLN12D, GLN249K, GLN260D, GLU192D, GLU195D, GLU244K, GLU302K, GLY266D, LYS11D, LYS199D, LYS206D, LYS211K, LYS243K, LYS265D, PRO183K, PRO216K, THR262D, THR8D, THR9D, TYR217K, VAL205D, VAL207D
• E-H: ALA286E, ALA286H, ALA287E, ALA287H, ALA42E, ALA42H, ALA74E, ALA74H, ALA76E, ALA76H, ARG34E, ARG34H, ARG39E, ARG39H, ARG77E, ARG77H, ASN35E, ASN35H, ASN73E, ASN73H, ASP290E, ASP290H, ASP36E, ASP36H, GLN46E, GLN46H, GLN70E, GLN70H, GLU285E, GLU285H, GLU293H, GLU72E, GLU72H, GLU80E, GLU80H, GLY294H, GLY41E, GLY41H, ILE289E, ILE289H, LEU40E, LEU40H, LEU50E, LEU50H, LEU69E, LEU69H, LEU75E, LEU75H, LEU81E, LEU81H, LYS43E, LYS43H, LYS47E, LYS47H, PHE132E, PHE132H, PRO133E, PRO133H, PRO297H, PRO32E, PRO44E, PRO44H, SER79E, SER79H, THR288E, THR288H, TRP31E, TRP31H, TRP33E, TRP33H, TRP38E, TRP38H, TYR291E, TYR291H, TYR71E, VAL292E, VAL292H, VAL78E, VAL78H
• E-K: ALA141E, ALA2E, ALA2K, ALA76E, ALA76K, ARG142E, ARG142K, ARG4E, ARG4K, ARG87E, ARG87K, ASN73E, ASN73K, ASN85E, ASN85K, ASN93E, ASN93K, ASP135E, ASP135K, ASP151E, ASP151K, CYS145E, CYS145K, CYS65E, CYS65K, GLN136E, GLN136K, GLU146E, GLU146K, GLU148E, GLU148K, GLU72E, GLU72K, GLU90E, GLU90K, GLY149E, GLY149K, GLY82E, GLY82K, HIS84E, HIS84K, ILE147E, ILE147K, ILE86E, ILE86K, ILE88E, ILE88K, ILE89E, ILE89K, LEU139E, LEU139K, LEU64E, LEU64K, LEU69E, LEU69K, LEU75E, LEU75K, LYS143E, LYS143K, LYS3E, LYS3K, LYS6E, LYS6K, PRO67E, PRO67K, PRO68E, PRO68K, SER63E, SER63K, SER79E, SER79K, SER83E, SER83K, THR92E, THR92K, TRP28E, TRP28K, TYR71E, TYR71K, VAL140E, VAL140K, VAL144E, VAL144K, VAL150E, VAL150K, VAL66E, VAL66K, VAL78E, VAL78K
• E-L: ALA122E, ALA122L, ALA138E, ALA138L, ARG4E, ARG4L, ASN121E, ASN121L, ASP135E, ASP135L, ASP137E, ASP137L, ASP94E, ASP94L, GLN136E, GLN136L, GLY124E, GLY124L, GLY125E, GLY125L, LEU126E, LEU126L, LEU139E, LEU139L, PHE120E, PHE120L, PHE132E, PHE132L, PRO133E, PRO133L, TRP134E, TRP134L, TYR131E, TYR131L, VAL127E, VAL127L, VAL292E, VAL292L
• F-G: ALA122F, ALA122G, ALA138F, ALA138G, ARG4F, ARG4G, ASN121F, ASN121G, ASP135F, ASP135G, ASP137F, ASP137G, ASP94F, ASP94G, GLN136F, GLN136G, GLY124F, GLY124G, GLY125F, GLY125G, LEU126F, LEU126G, LEU139F, LEU139G, PHE120F, PHE120G, PHE132F, PHE132G, PRO133F, PRO133G, TRP134F, TRP134G, TYR131F, TYR131G, VAL127F, VAL127G, VAL292F, VAL292G
• F-K: GLU192K, GLU337F
• H-K: ALA122H, ALA122K, ALA138H, ALA138K, ARG142K, ARG4K, ASN121H, ASN121K, ASP135H, ASP135K, ASP137H, ASP137K, ASP94H, ASP94K, GLN136H, GLN136K, GLU293H, GLY124H, GLY124K, GLY125H, GLY125K, GLY294H, ILE296H, LEU126H, LEU126K, LEU139H, LEU139K, LYS154K, LYS156K, LYS6K, PHE120H, PHE120K, PHE132H, PHE132K, PRO133H, PRO133K, SER295H, TRP134H, TRP134K, TYR131H, TYR131K, VAL127H, VAL127K, VAL292H, VAL292K
• H-L: ALA138L, ALA2H, ALA2L, ALA76H, ALA76L, ARG142H, ARG142L, ARG4H, ARG4L, ARG87H, ARG87L, ASN73H, ASN85H, ASN85L, ASN93H, ASN93L, ASP135H, ASP135L, ASP151H, CYS145H, CYS145L, CYS65H, CYS65L, GLN136H, GLN136L, GLU146H, GLU146L, GLU148H, GLU148L, GLU72H, GLU72L, GLU90H, GLU90L, GLY149H, GLY149L, GLY82H, GLY82L, HIS84H, HIS84L, ILE147H, ILE147L, ILE86H, ILE86L, ILE88H, ILE88L, ILE89H, ILE89L, LEU139H, LEU139L, LEU64L, LEU69H, LEU69L, LEU75H, LEU75L, LYS143H, LYS143L, LYS3H, LYS3L, LYS6H, LYS6L, PRO67H, PRO67L, PRO68H, PRO68L, SER63H, SER63L, SER79H, SER79L, SER83H, SER83L, THR92H, THR92L, TRP28H, TRP28L, TYR71H, TYR71L, VAL140H, VAL140L, VAL144H, VAL144L, VAL150H, VAL150L, VAL66H, VAL66L, VAL78H, VAL78L
• I-J: ALA286I, ALA286J, ALA287I, ALA287J, ALA42I, ALA42J, ALA74I, ALA74J, ALA76I, ALA76J, ARG34I, ARG34J, ARG39I, ARG39J, ARG77I, ARG77J, ASN35I, ASN35J, ASN73I, ASN73J, ASP290I, ASP290J, ASP36I, ASP36J, GLN46I, GLN46J, GLN70I, GLN70J, GLU285I, GLU285J, GLU72I, GLU72J, GLU80I, GLU80J, GLY41I, GLY41J, ILE289I, ILE289J, LEU40I, LEU40J, LEU50I, LEU50J, LEU69I, LEU69J, LEU75I, LEU75J, LEU81I, LEU81J, LYS43I, LYS43J, LYS47I, LYS47J, PHE132I, PHE132J, PRO133I, PRO133J, PRO32I, PRO32J, PRO44I, PRO44J, SER79I, SER79J, THR288I, THR288J, TRP31I, TRP31J, TRP33I, TRP33J, TRP38I, TRP38J, TYR291I, TYR291J, VAL292I, VAL292J, VAL78I, VAL78J
• K-L: ALA286K, ALA286L, ALA287K, ALA287L, ALA42K, ALA42L, ALA74K, ALA74L, ALA76K, ALA76L, ARG34K, ARG34L, ARG39K, ARG39L, ARG77K, ARG77L, ASN35K, ASN35L, ASN73K, ASN73L, ASP290K, ASP290L, ASP36K, ASP36L, GLN46K, GLN46L, GLN70K, GLN70L, GLU285K, GLU285L, GLU72K, GLU72L, GLU80K, GLU80L, GLY41K, GLY41L, ILE289K, ILE289L, LEU40K, LEU40L, LEU50K, LEU50L, LEU69K, LEU69L, LEU75K, LEU75L, LEU81K, LEU81L, LYS43K, LYS43L, LYS47K, LYS47L, PHE132K, PHE132L, PRO133K, PRO133L, PRO32K, PRO32L, PRO44K, PRO44L, SER79K, SER79L, THR288K, THR288L, TRP31K, TRP31L, TRP33K, TRP33L, TRP38K, TRP38L, TYR291K, TYR291L, VAL292K, VAL292L, VAL78K, VAL78L