3KH2

crystal structure of the p1 bacteriophage doc toxin (f68s) in complex with the phd antitoxin (l17m/v39a). northeast structural genomics targets er385-er386

• Total interactions analyzed: 28
• Total true interactions: 10
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 79
  • Norm. En. per Res.: -5.754
• Hub Node: B(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-E	-55.8479	-92.6058	-306.115	-454.5687	79	6	9	11797	7	28	21
A-F	0.0	0.0	-0.0652	-0.0652	5	0	0	20	0	4	3
B-D	0.0	10.5488	-13.9708	-3.422	23	0	0	793	0	9	7
B-E	0.0	0.0	-0.0993	-0.0993	9	0	0	31	0	4	3
B-F	-40.7387	-67.8961	-306.58	-415.2148	78	5	10	11744	7	29	20
C-D	0.0	-14.8713	-13.2003	-28.0716	19	0	0	547	0	9	3
C-G	-33.6851	-55.5363	-313.478	-402.6994	79	7	9	11825	7	29	20
D-H	-34.3108	-46.8533	-291.418	-372.5821	78	8	8	11478	6	29	23
E-F	-118.6458	-74.9993	-320.342	-513.9871	102	13	28	12916	8	38	32
G-H	0.0	0.0	-0.0006	-0.0006	2	0	0	2	0	0	0

Interface residues

• A-E: ALA11A, ALA15A, ALA51E, ALA54E, ALA57E, ALA71A, ALA76A, ALA80A, ALA98A, ARG19A, ARG2A, ARG73E, ARG74A, ARG85A, ARG86A, ASN16A, ASN67E, ASN72A, ASN72E, ASN78A, ASP14A, ASP53E, ASP61E, ASP64E, ASP70A, ASP93A, ASP99A, GLN90A, GLU45E, GLU55E, GLU69E, GLU7A, GLU8A, GLU96A, GLY103A, GLY21A, GLY22A, HIS13A, ILE10A, ILE17A, ILE4A, LEU100A, LEU12A, LEU52E, LEU59A, LEU59E, LEU63E, LEU70E, LEU77A, LEU81A, LEU82A, LEU84A, LEU97A, LEU9A, LYS48E, LYS49E, LYS68E, LYS73A, PHE56E, PHE60E, PHE83A, PHE92A, PRO95A, SER18A, SER58E, SER5A, SER65E, SER79A, SER94A, THR101A, THR106A, THR62E, THR66E, THR75A, TYR122A, TYR20A, VAL102A, VAL71E, VAL91A
• A-F: ARG2A, ARG86A, GLU25F, GLU8A, TYR47F
• B-D: ARG31B, ARG31D, ASN69B, ASN69D, ASP28B, ASP28D, ASP70B, ASP70D, GLY25B, GLY25D, GLY30B, GLY30D, ILE10B, LEU23B, LEU23D, PRO24B, PRO24D, PRO29B, PRO29D, SER27B, SER27D, SER68B, SER68D
• B-E: ARG2B, ARG86B, GLN2E, GLU25E, GLU7B, GLU8B, GLY23E, THR43E, TYR47E
• B-F: ALA105B, ALA11B, ALA15B, ALA51F, ALA54F, ALA57F, ALA71B, ALA76B, ALA80B, ALA98B, ARG19B, ARG2B, ARG73F, ARG74B, ARG85B, ARG86B, ASN16B, ASN67F, ASN72B, ASN72F, ASN78B, ASP14B, ASP53F, ASP61F, ASP64F, ASP70B, ASP93B, ASP99B, GLN90B, GLU55F, GLU69F, GLU7B, GLU8B, GLU96B, GLY103B, GLY21B, GLY22B, HIS13B, ILE10B, ILE17B, ILE4B, LEU100B, LEU12B, LEU52F, LEU59B, LEU59F, LEU63F, LEU70F, LEU77B, LEU81B, LEU82B, LEU84B, LEU97B, LEU9B, LYS48F, LYS49F, LYS68F, LYS73B, PHE56F, PHE60F, PHE83B, PHE92B, PRO95B, SER18B, SER58F, SER5B, SER65F, SER79B, SER94B, THR101B, THR62F, THR66F, THR75B, TYR122B, TYR20B, VAL102B, VAL71F, VAL91B
• C-D: ALA104C, ALA105C, ARG2D, ARG64C, ASN87D, ASP50D, GLU108C, GLU46D, GLU47D, GLY107C, HIS66C, ILE109C, ILE48D, LEU51D, SER110C, THR106C, THR49D, VAL43D, VAL60C
• C-G: ALA105C, ALA11C, ALA15C, ALA51G, ALA54G, ALA57G, ALA71C, ALA76C, ALA80C, ALA98C, ARG19C, ARG2C, ARG73G, ARG74C, ARG85C, ARG86C, ASN16C, ASN67G, ASN72C, ASN72G, ASN78C, ASP14C, ASP53G, ASP61G, ASP64G, ASP70C, ASP93C, ASP99C, GLN90C, GLU45G, GLU55G, GLU69G, GLU7C, GLU8C, GLU96C, GLY103C, GLY21C, GLY22C, HIS13C, ILE10C, ILE17C, ILE4C, LEU100C, LEU12C, LEU52G, LEU59C, LEU59G, LEU63G, LEU70G, LEU77C, LEU81C, LEU82C, LEU84C, LEU97C, LEU9C, LYS48G, LYS49G, LYS68G, LYS73C, PHE56G, PHE60G, PHE83C, PHE92C, PRO95C, SER18C, SER58G, SER5C, SER65G, SER79C, SER94C, THR101C, THR62G, THR66G, THR75C, TYR122C, TYR20C, VAL102C, VAL71G, VAL91C
• D-H: ALA105D, ALA11D, ALA15D, ALA51H, ALA54H, ALA57H, ALA71D, ALA76D, ALA80D, ALA98D, ARG19D, ARG2D, ARG73H, ARG74D, ARG85D, ARG86D, ASN16D, ASN67H, ASN72D, ASN72H, ASN78D, ASP14D, ASP53H, ASP61H, ASP64H, ASP70D, ASP93D, ASP99D, GLN90D, GLU55H, GLU69H, GLU7D, GLU8D, GLU96D, GLY103D, GLY21D, GLY22D, HIS13D, ILE10D, ILE17D, ILE4D, LEU100D, LEU12D, LEU52H, LEU59D, LEU59H, LEU63H, LEU70H, LEU77D, LEU81D, LEU82D, LEU84D, LEU97D, LEU9D, LYS48H, LYS49H, LYS68H, LYS73D, PHE56H, PHE60H, PHE83D, PHE92D, PRO95D, SER18D, SER58H, SER5D, SER65H, SER79D, SER94D, THR101D, THR62H, THR66H, THR75D, TYR122D, TYR20D, VAL102D, VAL71H, VAL91D
• E-F: ALA22E, ALA22F, ALA36E, ALA36F, ALA39E, ALA39F, ALA42E, ALA42F, ALA46E, ALA46F, ALA50E, ALA50F, ALA51E, ALA51F, ALA54E, ALA54F, ALA9E, ALA9F, ARG10E, ARG10F, ARG30E, ARG30F, ARG33E, ARG33F, ARG7E, ARG7F, ASN12E, ASN12F, ASN18E, ASN18F, ASN19E, ASN19F, ASN5E, ASN5F, ASP53E, ASP53F, GLN2E, GLN2F, GLU15E, GLU15F, GLU21E, GLU21F, GLU24E, GLU24F, GLU25E, GLU25F, GLU27E, GLU27F, GLU34E, GLU34F, GLU45E, GLU45F, GLU55E, GLU55F, GLY11E, GLY11F, GLY23E, GLY32F, ILE28E, ILE28F, ILE38E, ILE38F, ILE4E, ILE4F, LEU13E, LEU13F, LEU52E, LEU52F, LYS41E, LYS41F, LYS48E, LYS48F, LYS49E, LYS49F, PHE44E, PHE44F, PHE6E, PHE6F, PRO35E, PRO35F, SER14E, SER14F, SER3E, SER3F, SER40E, SER40F, THR29E, THR29F, THR43E, THR43F, THR8E, THR8F, TYR47E, TYR47F, VAL16E, VAL16F, VAL20E, VAL20F, VAL26E, VAL26F, VAL37E, VAL37F
• G-H: ARG33H, ARG73G