3QQM

crystal structure of a putative amino-acid aminotransferase (np_104211.1) from mesorhizobium loti at 2.30 a resolution

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 85
  • Norm. En. per Res.: -5.5785
• Hub Node: C(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	-117.6762	-104.7964	-251.704	-474.1766	85	11	1	8805	9	37	35
A-C	0.0	0.0	-19.4943	-19.4943	19	3	0	1037	0	4	5
B-C	-9.4363	6.2037	-100.55	-103.7826	54	5	2	4822	0	10	11
B-D	0.0	0.0	-0.0042	-0.0042	3	0	0	5	0	3	2
B-E	-3.2902	-4.073	-47.2637	-54.6269	38	1	0	1972	0	19	16
C-D	-109.4946	-63.0865	-249.846	-422.4271	89	21	1	8771	8	37	33
C-F	0.0	-6.8887	-23.2782	-30.1669	22	3	0	922	0	16	13
C-G	-16.227	-52.9487	-82.6147	-151.7905	53	1	2	3642	3	12	15
D-E	-4.753	16.6249	-152.248	-140.376	72	4	9	5848	0	36	23
D-G	0.0	0.0	-16.6017	-16.6017	14	1	0	645	0	0	2
D-H	-7.9017	-49.3389	-88.5954	-145.8361	56	2	2	4097	3	14	16
E-F	-98.9377	-84.2859	-252.224	-435.4477	89	14	1	8941	8	35	36
F-G	0.0	3.6042	-1.0416	2.5625	19	0	0	193	0	11	12
G-H	-113.2945	-106.8732	-238.952	-459.1197	85	18	1	8747	10	36	35

Interface residues

• A-B: ALA49A, ALA56B, ALA62A, ALA62B, ALA66A, ALA66B, ALA69B, ALA75A, ALA75B, ALA77A, ALA77B, ALA82A, ALA82B, ALA84A, ALA84B, ALA86A, ALA86B, ARG212A, ARG212B, ARG54A, ARG54B, ARG67A, ARG67B, ARG71A, ARG71B, ARG73A, ARG73B, ARG78A, ARG78B, ARG8A, ASN79A, ASN79B, ASP51A, ASP51B, ASP61A, ASP61B, ASP64A, ASP64B, ASP81A, ASP81B, ASP9A, GLN53B, GLN87A, GLN87B, GLU16A, GLU16B, GLU57A, GLU57B, GLU90A, GLU90B, GLY65A, GLY65B, GLY80A, GLY80B, ILE18A, ILE18B, ILE55A, ILE55B, LEU211A, LEU59A, LEU59B, LEU63A, LEU63B, LEU74A, LEU74B, LEU76A, LEU76B, LEU7A, PRO6A, PRO88A, PRO88B, SER119B, SER60A, SER60B, SER85A, SER85B, THR68A, THR68B, THR72A, THR72B, THR83A, THR83B, TYR89A, VAL58A, VAL58B
• A-C: ALA192C, ARG145C, ARG169C, ASN143C, ASP137A, ASP171C, CYS172C, GLN110C, GLN135A, GLU147C, GLU191C, GLU45C, GLU90A, ILE193C, LEU132A, LYS96A, PRO88A, THR134A, VAL133A
• B-C: ALA13C, ALA43C, ALA44C, ALA49C, ALA66B, ALA69B, ALA93B, ALA94B, ARG115C, ARG120C, ARG188B, ARG212B, ARG22B, ARG31B, ARG54C, ARG67B, ARG78C, ASN79C, ASP14C, ASP51C, ASP95B, CYS50C, GLN24B, GLN53C, GLU45C, GLU90B, GLY26B, GLY41C, GLY47C, GLY65B, GLY80C, HIS116C, LEU113C, LEU30B, LEU46C, LEU76C, LEU92B, LYS96B, PHE15C, PHE48C, PRO25B, PRO52C, PRO88B, PRO91B, SER28B, SER42C, THR112C, THR118C, THR12C, THR27B, THR68B, TRP23B, TYR40C, TYR89B
• B-D: ARG78D, GLY47D, LYS203B
• B-E: ALA69E, ARG188B, ARG188E, ARG22E, ARG31B, ARG31E, ARG34B, ARG67E, ASP162B, ASP185B, ASP185E, ASP33B, GLN24E, GLU182B, GLU182E, GLU186B, GLU186E, GLU190B, GLY161B, GLY163B, GLY187B, GLY187E, GLY213E, GLY26E, LEU183B, LEU183E, LEU184B, LEU214E, LEU30B, LEU30E, PRO25E, PRO91E, SER28E, THR27E, THR68E, TRP23E, TYR89E, VAL164B
• C-D: ALA13D, ALA49D, ALA62C, ALA62D, ALA66C, ALA66D, ALA69C, ALA69D, ALA75C, ALA75D, ALA77C, ALA77D, ALA82C, ALA82D, ALA84C, ALA84D, ALA86C, ALA86D, ARG212C, ARG212D, ARG54C, ARG54D, ARG67C, ARG67D, ARG71C, ARG71D, ARG73C, ARG73D, ARG78C, ARG78D, ASN79C, ASN79D, ASP51C, ASP51D, ASP61C, ASP61D, ASP64C, ASP64D, ASP81C, ASP81D, GLN53C, GLN53D, GLN87C, GLN87D, GLU16C, GLU16D, GLU57C, GLU57D, GLU90C, GLU90D, GLY65C, GLY65D, GLY80C, GLY80D, ILE18C, ILE18D, ILE55C, ILE55D, LEU17C, LEU211D, LEU59C, LEU59D, LEU63C, LEU63D, LEU74C, LEU74D, LEU76C, LEU76D, PHE15C, PHE48C, PRO88C, PRO88D, SER119C, SER119D, SER60C, SER60D, SER85C, SER85D, THR20C, THR68C, THR68D, THR72C, THR72D, THR83C, THR83D, TRP23C, TYR89D, VAL58C, VAL58D
• C-F: ALA127C, ALA13F, ARG104C, ARG106C, ARG120F, ARG121C, ARG128C, ARG8F, ASP11F, ASP9F, GLN122C, GLN122F, GLU130C, GLY10F, HIS126C, HIS126F, LEU123C, SER129C, THR105C, THR125C, THR12F, TYR124C
• C-G: ALA136C, ALA158G, ALA166G, ALA189G, ALA204G, ALA93C, ALA93G, ALA94G, ARG101C, ARG104C, ARG128C, ARG188G, ASP137C, ASP159G, ASP162G, ASP95C, ASP95G, GLN135C, GLU130C, GLU182G, GLU186G, GLY161G, GLY163G, GLY213G, ILE215G, ILE99C, LEU102C, LEU132C, LEU165G, LEU179G, LEU183G, LEU205G, LEU214G, LYS200C, LYS203G, LYS218G, LYS96C, LYS96G, PHE157G, PHE160G, PHE206G, PRO216G, SER129C, THR134C, TRP98C, TYR131C, TYR196C, VAL133C, VAL164G, VAL207G, VAL220C, VAL97C, VAL97G
• D-E: ALA181D, ALA181E, ALA37D, ALA37E, ALA43D, ALA43E, ALA44D, ALA44E, ALA49D, ALA49E, ALA56D, ALA56E, ARG31D, ARG31E, ARG34D, ARG34E, ARG38D, ARG38E, ARG54D, ARG54E, ASP185D, ASP185E, ASP33D, ASP33E, ASP51D, ASP51E, CYS50D, CYS50E, GLN53D, GLN53E, GLU182D, GLU182E, GLU186D, GLU186E, GLU45D, GLU45E, GLU57D, GLY41D, GLY41E, GLY47D, GLY47E, HIS35D, HIS35E, ILE55D, LEU184E, LEU36D, LEU36E, LEU39D, LEU39E, LEU46D, LEU46E, LEU59D, LEU59E, LEU76D, LEU76E, PHE29D, PHE29E, PHE32D, PHE32E, PHE48D, PHE48E, PRO52D, PRO52E, SER28D, SER28E, SER42D, SER42E, SER60D, TYR40D, TYR40E, VAL178D, VAL178E
• D-G: ARG67D, ARG67G, GLN24D, GLN24G, GLY26D, GLY26G, PRO25D, PRO25G, SER28D, SER28G, THR27D, THR27G, THR68D, THR68G
• D-H: ALA103H, ALA136H, ALA166D, ALA189D, ALA202D, ALA204D, ALA217D, ALA93D, ALA93H, ALA94D, ARG101H, ARG104H, ARG128H, ARG188D, ARG212D, ARG31D, ASP137H, ASP159D, ASP162D, ASP95D, ASP95H, GLN135H, GLU130H, GLU182D, GLU186D, GLU190D, GLY161D, GLY163D, GLY213D, HIS126H, ILE215D, ILE99H, LEU102H, LEU132H, LEU165D, LEU179D, LEU183D, LEU205D, LEU214D, LYS200H, LYS203D, LYS96D, LYS96H, PHE157D, PHE160D, PHE206D, PRO216D, SER129H, THR134H, TYR131H, TYR196H, VAL133H, VAL164D, VAL207D, VAL220H, VAL97H
• E-F: ALA13F, ALA49F, ALA56E, ALA62E, ALA62F, ALA66E, ALA66F, ALA69E, ALA75E, ALA75F, ALA77E, ALA77F, ALA82E, ALA82F, ALA84E, ALA84F, ALA86E, ALA86F, ARG212E, ARG212F, ARG54E, ARG54F, ARG67E, ARG67F, ARG71E, ARG71F, ARG73E, ARG73F, ARG78E, ARG78F, ARG8F, ASN79E, ASN79F, ASP14F, ASP51E, ASP51F, ASP61E, ASP61F, ASP64E, ASP64F, ASP81E, ASP81F, ASP9F, GLN53E, GLN53F, GLN87E, GLN87F, GLU16E, GLU16F, GLU57E, GLU57F, GLU90E, GLU90F, GLY65E, GLY65F, GLY80E, GLY80F, ILE18E, ILE18F, ILE55E, ILE55F, LEU211F, LEU59E, LEU59F, LEU63E, LEU63F, LEU74E, LEU74F, LEU76E, LEU76F, LEU7F, PRO6F, PRO88E, PRO88F, SER119E, SER60E, SER60F, SER85E, SER85F, THR68E, THR72E, THR72F, THR83E, THR83F, TRP23E, TYR89E, TYR89F, VAL58E, VAL58F
• F-G: ALA13F, ARG120F, ARG188G, ARG34G, ARG78F, ASP108F, ASP11F, ASP14F, ASP185G, GLN110F, GLU186G, GLU190G, GLY187G, GLY47F, LEU113F, LEU46F, PHE15F, THR112F, THR12F
• G-H: ALA49G, ALA56G, ALA56H, ALA62G, ALA62H, ALA66G, ALA66H, ALA69H, ALA75G, ALA75H, ALA77G, ALA77H, ALA82G, ALA82H, ALA84G, ALA84H, ALA86G, ALA86H, ARG212G, ARG54G, ARG54H, ARG67G, ARG67H, ARG71G, ARG71H, ARG73G, ARG73H, ARG78G, ARG8G, ASN79G, ASN79H, ASP51G, ASP51H, ASP61G, ASP61H, ASP64G, ASP64H, ASP81G, ASP81H, ASP9G, GLN53G, GLN53H, GLN87G, GLN87H, GLU16G, GLU16H, GLU57G, GLU57H, GLU90G, GLU90H, GLY65G, GLY65H, GLY80G, GLY80H, ILE18G, ILE18H, ILE55G, ILE55H, LEU211G, LEU59G, LEU59H, LEU63G, LEU63H, LEU74G, LEU74H, LEU76G, LEU76H, LEU7G, PRO6G, PRO88G, PRO88H, SER60G, SER60H, SER85G, SER85H, THR68H, THR72G, THR72H, THR83G, THR83H, TRP23H, TYR89G, TYR89H, VAL58G, VAL58H