3FIF

crystal structure of the ygdr protein from e.coli. northeast structural genomics target er382a.

• Total interactions analyzed: 36
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 27
  • Norm. En. per Res.: -3.3782
• 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	-16.2138	0.0	-64.4491	-80.6629	38	9	0	2156	0	0	7
A-E	-11.1425	0.0	-14.9296	-26.0721	13	3	1	636	0	2	3
A-F	0.0	11.494	-102.705	-91.211	27	3	0	2573	5	13	26
B-C	0.0	1.482	-37.3777	-35.8957	25	1	0	1485	0	9	9
B-E	0.0	40.1887	-17.605	22.5837	29	0	1	936	0	12	14
C-D	-5.5773	0.0	-63.5719	-69.1492	37	5	0	2144	0	3	8
E-F	-26.4833	0.0	-42.7249	-69.2082	31	6	1	1983	0	11	13
E-G	-15.7264	-17.9462	-29.5283	-63.2009	31	4	0	1295	2	19	13
F-H	-16.327	-10.7062	-33.6423	-60.6755	37	3	0	1672	0	19	15
F-Y	-8.1728	0.0	-32.1366	-40.3094	17	0	0	1017	0	0	0
G-H	0.0	-0.8041	-0.0275	-0.8316	3	0	0	8	0	7	3
H-Y	0.0	0.0	-20.2486	-20.2486	16	8	0	784	0	0	0

Interface residues

• A-B: ALA39A, ALA39B, ARG13A, ARG13B, ARG44A, ARG44B, ASN38A, ASN38B, ASN43A, ASN43B, ASP34A, ASP34B, ASP45A, ASP45B, ASP46A, ASP46B, GLN35A, GLN36A, GLN36B, GLN41A, GLN41B, GLY28A, GLY28B, GLY37A, GLY37B, HIS33A, HIS33B, ILE42A, ILE42B, LEU29A, LEU29B, SER31A, SER31B, THR27A, TYR32A, TYR32B, VAL30A, VAL30B
• A-E: ALA39E, ASP24A, ASP25A, ASP26A, GLN41A, GLN41E, GLY28A, HIS33E, LEU29A, LEU29E, SER31A, SER31E, THR27A
• A-F: ARG44A, ARG44F, ASN43A, ASN43F, ASP24A, ASP24F, ASP25A, ASP25F, ASP26A, ASP26F, ASP45A, ASP45F, ASP46A, ASP46F, GLY28A, GLY28F, ILE23A, ILE23F, LEU29A, LEU29F, LYS10A, THR27A, THR27F, VAL30A, VAL30F, VAL47A, VAL47F
• B-C: ALA8B, ALA8C, ARG13B, ARG13C, ASP11B, ASP11C, ASP45B, ASP45C, ASP46B, ASP46C, GLN49B, GLN49C, GLY12B, GLY12C, ILE51B, ILE51C, LYS10B, LYS10C, SER48B, SER48C, THR9B, THR9C, VAL47B, VAL47C, VAL6C
• B-E: ALA39B, ALA39E, ASN38B, ASP18B, ASP18E, ASP34B, ASP34E, GLN35B, GLN36B, GLU22B, GLU22E, GLU52B, GLU52E, GLY19B, GLY19E, GLY37B, HIS33B, HIS33E, LYS20B, LYS20E, SER2B, SER2E, SER31E, SER3B, SER3E, THR17E, TYR32E, TYR5B, TYR5E
• C-D: ALA39C, ALA39D, ARG13C, ARG13D, ARG44C, ARG44D, ASN38C, ASN38D, ASN43C, ASN43D, ASP34C, ASP34D, ASP45C, ASP45D, ASP46C, ASP46D, GLN35D, GLN36C, GLN36D, GLN41C, GLN41D, GLY28C, GLY28D, GLY37C, GLY37D, HIS33C, HIS33D, ILE42C, ILE42D, LEU29C, LEU29D, SER31C, SER31D, THR27D, TYR32C, VAL30C, VAL30D
• E-F: ARG13E, ARG13F, ARG44E, ARG44F, ASN43E, ASN43F, ASP24E, ASP24F, ASP25E, ASP25F, ASP26E, ASP26F, ASP45E, ASP45F, ASP46E, ASP46F, GLN41E, GLN41F, GLY28E, GLY28F, ILE42E, ILE42F, LEU29E, LEU29F, SER31F, THR27E, THR27F, TYR32E, TYR32F, VAL30E, VAL30F
• E-G: ALA8E, ALA8G, ARG13E, ARG13G, ARG53E, ARG53G, ASP11E, ASP11G, ASP4E, ASP4G, GLN49G, GLU52G, GLU55E, GLU55G, GLY12E, GLY12G, HIS56G, ILE15E, ILE15G, ILE51E, ILE51G, LEU16E, LEU16G, LEU54G, LYS10E, LYS10G, SER48G, THR9E, THR9G, VAL6E, VAL6G
• F-H: ALA8F, ALA8H, ARG13F, ARG13H, ARG53F, ARG53H, ASP11F, ASP11H, ASP34F, ASP4F, ASP4H, GLN35F, GLN35H, GLN36F, GLN36H, GLN49F, GLU52F, GLU55F, GLY12F, GLY12H, GLY37H, HIS56F, HIS56H, ILE15F, ILE15H, ILE51F, ILE51H, LEU16F, LEU16H, LEU54F, LYS10F, LYS10H, SER48F, THR9F, THR9H, VAL6F, VAL6H
• F-Y: ALA8F, ARG13F, ASP11F, GLN49F, GLY12F, GLY1Y, GLY2Y, GLY3Y, GLY4Y, GLY5Y, GLY6Y, GLY7Y, ILE51F, LYS10F, SER48F, THR9F, VAL6F
• G-H: ASP18H, GLN35H, HIS58G
• H-Y: ALA8H, ARG53H, ASP4H, GLN49H, GLU55H, GLY3Y, GLY4Y, GLY5Y, GLY6Y, GLY7Y, ILE15H, ILE51H, LEU16H, LEU54H, TYR5H, VAL6H