3KNZ

crystal structure of putative sugar binding protein (np_459565.1) from salmonella typhimurium lt2 at 2.50 a resolution

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 17
  • Norm. En. per Res.: -4.6306
• 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	-44.3949	-65.4198	-293.306	-403.1207	170	4	2	11602	4	29	38
A-C	-9.6837	0.0	-115.769	-125.4527	41	5	1	3748	0	1	2
A-D	0.0	-6.4793	-0.9344	-7.4136	8	0	0	188	0	3	2
B-C	-14.6589	-30.3161	-33.7456	-78.7207	17	3	1	1251	2	4	4
B-D	0.0	0.0	-27.681	-27.681	27	0	0	1412	0	7	5
C-D	-39.2089	-78.3268	-281.259	-398.7947	171	13	2	11608	5	29	39
D-E	-26.0067	-7.0288	-79.4827	-112.5183	48	5	1	3604	10	31	29
E-F	-27.9592	-86.8994	-381.894	-496.7526	202	22	4	14892	2	36	39

Interface residues

• A-B: ALA213A, ALA213B, ALA223A, ALA249A, ALA249B, ALA58A, ALA58B, ALA75A, ALA75B, ALA96A, ALA96B, ARG100A, ARG100B, ARG163A, ARG163B, ARG208A, ARG208B, ARG231A, ARG231B, ARG266A, ARG266B, ARG33A, ARG33B, ARG50A, ARG50B, ARG55A, ARG55B, ARG76A, ARG76B, ASN248A, ASN248B, ASN251A, ASN251B, ASP206A, ASP206B, ASP304A, ASP62A, ASP62B, ASP70A, ASP70B, ASP71A, ASP71B, CYS232A, CYS57A, CYS57B, CYS64A, CYS64B, GLN220A, GLN220B, GLN54A, GLN54B, GLN87A, GLN87B, GLU228A, GLU228B, GLU238A, GLU238B, GLU240A, GLU240B, GLU241A, GLU241B, GLU72A, GLU72B, GLY217A, GLY217B, GLY245A, GLY245B, GLY38A, GLY38B, GLY40A, GLY40B, GLY78A, GLY78B, GLY88A, GLY88B, GLY89B, GLY90A, GLY90B, HIS244A, HIS244B, ILE243A, ILE243B, ILE246A, ILE246B, ILE34A, ILE34B, ILE35A, ILE35B, ILE85B, LEU215A, LEU215B, LEU224A, LEU224B, LEU227A, LEU227B, LEU47A, LEU47B, LEU59A, LEU59B, LEU69A, LEU69B, LEU74A, LEU74B, LEU92A, LEU92B, LYS225A, LYS225B, PHE216A, PHE216B, PHE239A, PHE239B, PHE242A, PHE242B, PHE250A, PHE250B, PHE52A, PHE52B, PHE67A, PHE67B, PRO212A, PRO212B, PRO233A, PRO233B, PRO60A, PRO60B, PRO66A, PRO66B, SER235A, SER235B, SER39A, SER39B, SER42A, SER42B, SER77A, SER77B, SER86A, SER86B, SER91A, SER91B, SER93A, SER93B, THR214A, THR214B, THR229A, THR229B, THR32A, THR32B, THR37A, THR41A, THR41B, THR51A, THR51B, THR73A, THR73B, THR94A, THR94B, TRP56A, TRP56B, TRP65A, TRP65B, TYR237A, TYR237B, TYR247A, TYR247B, TYR43A, TYR43B, VAL61A, VAL61B, VAL63A, VAL63B
• A-C: ALA249A, ALA252A, ALA252C, ARG269A, ARG269C, ASN248A, ASN248C, ASN251A, ASN251C, GLN253A, GLN253C, GLN272A, GLU276A, GLU276C, GLY275A, GLY275C, ILE246A, ILE246C, ILE273A, ILE273C, ILE281A, ILE281C, LEU256A, LEU270A, LEU270C, LEU274A, LEU274C, PHE242A, PHE250A, PHE250C, PRO279A, PRO279C, SER254A, SER254C, SER280C, THR278A, THR278C, TRP277A, TRP277C, TYR247A, TYR247C
• A-D: ARG231D, ARG269A, GLN272A, GLU228D, GLU276A, ILE273A, THR229D, TRP277A
• B-C: ALA265C, ARG231B, ARG269C, ASN-5B, ASP264C, CYS232B, GLN272C, GLU228B, GLU276C, ILE273C, LEU-4B, LEU227B, LEU230B, LYS225B, THR229B, TRP277C, TYR-3B
• B-D: ALA115B, ALA115D, ALA117B, ALA117D, ARG121B, ARG121D, ASP120B, ASP120D, CYS131B, GLU133B, GLU133D, GLU99D, GLY113B, GLY132B, GLY132D, GLY89B, GLY89D, ILE119D, ILE126B, LEU92D, LEU95D, PRO116B, PRO116D, THR118B, THR118D, VAL114B, VAL114D
• C-D: ALA213C, ALA213D, ALA249C, ALA249D, ALA252C, ALA58C, ALA58D, ALA75C, ALA75D, ALA96C, ALA96D, ARG100C, ARG100D, ARG163C, ARG163D, ARG208C, ARG208D, ARG231C, ARG231D, ARG266C, ARG266D, ARG33C, ARG33D, ARG50C, ARG50D, ARG55C, ARG55D, ARG76C, ARG76D, ASN248C, ASN248D, ASN251C, ASN251D, ASP206C, ASP206D, ASP304D, ASP62C, ASP62D, ASP70C, ASP70D, ASP71C, ASP71D, CYS232D, CYS57C, CYS57D, CYS64C, CYS64D, GLN161C, GLN161D, GLN220C, GLN220D, GLN54C, GLN54D, GLN87C, GLN87D, GLU228C, GLU228D, GLU238C, GLU238D, GLU240C, GLU240D, GLU241C, GLU241D, GLU72C, GLU72D, GLY217C, GLY217D, GLY236C, GLY245C, GLY245D, GLY38C, GLY38D, GLY40C, GLY40D, GLY78C, GLY78D, GLY88C, GLY88D, GLY89C, GLY89D, GLY90C, GLY90D, HIS244C, HIS244D, ILE243C, ILE243D, ILE246C, ILE246D, ILE35C, ILE35D, ILE85C, LEU215C, LEU215D, LEU224C, LEU224D, LEU227C, LEU227D, LEU47C, LEU47D, LEU59C, LEU59D, LEU69C, LEU69D, LEU74C, LEU74D, LEU92C, LEU92D, LYS225C, LYS225D, PHE216C, PHE216D, PHE239C, PHE239D, PHE242C, PHE242D, PHE250C, PHE250D, PHE52C, PHE52D, PHE67C, PHE67D, PRO212C, PRO212D, PRO233C, PRO233D, PRO60C, PRO60D, PRO66C, PRO66D, SER235C, SER235D, SER254C, SER39C, SER39D, SER42C, SER42D, SER77C, SER77D, SER86C, SER86D, SER91C, SER91D, SER93C, SER93D, THR214C, THR214D, THR229C, THR229D, THR32C, THR32D, THR37D, THR41C, THR41D, THR51C, THR51D, THR73C, THR73D, THR94C, THR94D, TRP56C, TRP56D, TRP65C, TRP65D, TYR237C, TYR237D, TYR247C, TYR247D, TYR43C, TYR43D, VAL61C, VAL61D
• D-E: ARG170D, ARG170E, ARG175D, ARG175E, ARG55D, ARG55E, ASN181D, ASN181E, ASN301D, ASN301E, ASP302D, ASP302E, ASP304D, ASP304E, GLN168D, GLN168E, GLU167D, GLU167E, GLU177D, GLU177E, GLU303D, GLU303E, HIS182D, HIS182E, LEU12D, LEU12E, LEU172D, LEU172E, LEU173D, LEU173E, LEU174D, LEU174E, LEU9D, LEU9E, LYS178D, LYS178E, PHE305D, PHE305E, SER171D, SER171E, THR13D, THR13E, THR179D, THR179E, TRP56D, TRP56E, VAL300D, VAL300E
• E-F: ALA112E, ALA112F, ALA117E, ALA117F, ALA205E, ALA205F, ALA213E, ALA213F, ALA223E, ALA223F, ALA249E, ALA249F, ALA252E, ALA255E, ALA58E, ALA58F, ALA75E, ALA75F, ALA96E, ALA96F, ARG100E, ARG100F, ARG163E, ARG163F, ARG208E, ARG208F, ARG231E, ARG231F, ARG266E, ARG266F, ARG33E, ARG33F, ARG50E, ARG50F, ARG55E, ARG55F, ARG76E, ARG76F, ASN248E, ASN248F, ASN251E, ASN251F, ASP206E, ASP206F, ASP62E, ASP62F, ASP70E, ASP70F, ASP71E, ASP71F, CYS232E, CYS232F, CYS57E, CYS57F, CYS64E, CYS64F, GLN220E, GLN220F, GLN253E, GLN253F, GLN54E, GLN54F, GLN87E, GLN87F, GLU228E, GLU228F, GLU238E, GLU238F, GLU240E, GLU240F, GLU241E, GLU241F, GLU72E, GLU72F, GLY113E, GLY113F, GLY217E, GLY217F, GLY236E, GLY236F, GLY245E, GLY245F, GLY38E, GLY38F, GLY40E, GLY40F, GLY78E, GLY78F, GLY88E, GLY88F, GLY89E, GLY89F, GLY90E, GLY90F, HIS244E, HIS244F, HIS44E, HIS44F, ILE119E, ILE119F, ILE207E, ILE207F, ILE243E, ILE243F, ILE35E, ILE35F, ILE85E, ILE85F, LEU215E, LEU215F, LEU224E, LEU224F, LEU227E, LEU227F, LEU230E, LEU230F, LEU47E, LEU47F, LEU59E, LEU59F, LEU69E, LEU69F, LEU74E, LEU74F, LEU92E, LEU92F, LEU95E, LEU95F, LYS225E, LYS225F, PHE216E, PHE216F, PHE239E, PHE239F, PHE242E, PHE242F, PHE250E, PHE250F, PHE52F, PHE67E, PHE67F, PRO212E, PRO212F, PRO233E, PRO233F, PRO60E, PRO60F, PRO66E, PRO66F, SER204E, SER235E, SER235F, SER254E, SER39E, SER39F, SER42E, SER42F, SER77E, SER77F, SER86E, SER86F, SER91E, SER91F, SER93E, SER93F, THR118E, THR118F, THR214E, THR214F, THR229E, THR229F, THR32E, THR32F, THR37F, THR41E, THR41F, THR51E, THR51F, THR73E, THR73F, THR94E, THR94F, TRP56E, TRP56F, TRP65E, TRP65F, TYR237E, TYR237F, TYR247E, TYR247F, TYR43E, TYR43F, VAL114E, VAL114F, VAL219E, VAL219F, VAL234E, VAL234F, VAL61E, VAL61F, VAL63E, VAL63F