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PISA Interface List.

Session Map (id=235-D5-C80)

Interfaces in PDB 4hwp crystal.
Space symmetry group: P 21 21 21. Resolution: 1.81 Å

CRYSTAL STRUCTURE OF E. COLI THREONYL-TRNA SYNTHETASE BOUND TO A NOVEL INHIBITOR

Interfaces

##			Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
Id	NN	«»	Range	ⁱN_at	ⁱN_res	Surface Å²	×	Range	Symmetry op-n	Sym.ID	ⁱN_at	ⁱN_res	Surface Å²	interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
1	`1`		B	`226`	`58`	`18371`	`◊`	A	x,y,z	`1_555`	`217`	`55`	`18931`	`2020.6`	`-15.3`	`0.052`	`29`	`8`	`0`	`0.261`
2	`2`		A	`63`	`19`	`18931`	`◊`	B	-x-1,y-1/2,-z+1/2	`3_445`	`71`	`17`	`18371`	`580.5`	`-0.2`	`0.519`	`4`	`6`	`0`	`0.000`
3	`3`		A	`63`	`17`	`18931`	`◊`	B	-x,y-1/2,-z+1/2	`3_545`	`56`	`18`	`18371`	`559.3`	`0.2`	`0.516`	`5`	`5`	`0`	`0.000`
4	`4`		[X16]B:702	`29`	`1`	`610`	`f`	B	x,y,z	`1_555`	`66`	`27`	`18371`	`431.4`	`3.7`	`0.480`	`12`	`0`	`0`	`0.033`
	`5`		[X16]A:702	`29`	`1`	`609`	`f`	A	x,y,z	`1_555`	`68`	`27`	`18931`	`429.4`	`3.7`	`0.483`	`13`	`0`	`0`	`0.033`
	*Average:*													`430.4`	`3.7`	`0.481`	`13`	`0`	`0`	`0.033`
5	`6`		B	`46`	`14`	`18371`	`◊`	A	x-1/2,-y-1/2,-z	`4_445`	`41`	`12`	`18931`	`343.8`	`5.3`	`0.886`	`5`	`6`	`0`	`0.000`
6	`7`		B	`13`	`5`	`18371`	`x`	B	-x-1/2,-y,z-1/2	`2_454`	`17`	`6`	`18371`	`134.0`	`-1.5`	`0.273`	`1`	`0`	`0`	`0.000`
7	`8`		B	`8`	`3`	`18371`	`◊`	A	x-1,y,z	`1_455`	`7`	`1`	`18931`	`68.2`	`0.3`	`0.638`	`1`	`0`	`0`	`0.000`
8	`9`		[ZN]A:701	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`11`	`7`	`18931`	`35.1`	`-25.6`	`0.000`	`0`	`0`	`0`	`0.457`
	`10`		[ZN]B:701	`1`	`1`	`98`	`f`	B	x,y,z	`1_555`	`9`	`6`	`18371`	`35.0`	`-25.7`	`0.000`	`0`	`0`	`0`	`0.457`
	*Average:*													`35.0`	`-25.7`	`0.000`	`0`	`0`	`0`	`0.457`
9	`11`		[X16]B:702	`3`	`1`	`610`	`f`	[ZN]B:701	x,y,z	`1_555`	`1`	`1`	`98`	`32.2`	`-14.0`	`0.000`	`0`	`0`	`0`	`0.249`
	`12`		[X16]A:702	`3`	`1`	`609`	`f`	[ZN]A:701	x,y,z	`1_555`	`1`	`1`	`98`	`31.9`	`-14.0`	`0.000`	`0`	`0`	`0`	`0.249`
	*Average:*													`32.1`	`-14.0`	`0.000`	`0`	`0`	`0`	`0.249`
10	`13`		A	`3`	`3`	`18931`	`◊`	B	x-1/2,-y-1/2,-z+1	`4_446`	`3`	`2`	`18371`	`15.3`	`0.6`	`0.792`	`0`	`0`	`0`	`0.000`

PDBe PISA v1.52 [20/10/2014]