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PISA Interface List.

Session Map (id=632-KD-N8E)

Interfaces in PDB 1psa crystal.
Space symmetry group: P 1 1 21. Resolution: 2.90 Å

STRUCTURE OF A PEPSIN(SLASH)RENIN INHIBITOR COMPLEX REVEALS A NOVEL CRYSTAL PACKING INDUCED BY MINOR CHEMICAL ALTERATIONS IN THE 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	`119`	`35`	`13055`	`◊`	A	x,y,z	`1_555`	`124`	`36`	`13042`	`1037.9`	`1.0`	`0.951`	`17`	`0`	`0`	`0.000`
2	`2`		[0ZL]A:327	`37`	`1`	`794`	`f`	A	x,y,z	`1_555`	`76`	`29`	`13042`	`592.4`	`-5.9`	`0.332`	`13`	`0`	`0`	`0.100`
	`3`		[0ZL]B:327	`37`	`1`	`803`	`f`	B	x,y,z	`1_555`	`78`	`29`	`13055`	`589.2`	`-6.0`	`0.331`	`11`	`0`	`0`	`0.100`
	*Average:*													`590.8`	`-5.9`	`0.332`	`12`	`0`	`0`	`0.100`
3	`4`		B	`42`	`15`	`13055`	`x`	B	-x+1,-y+1,z-1/2	`2_664`	`45`	`15`	`13055`	`372.6`	`-1.1`	`0.690`	`3`	`0`	`0`	`0.000`
4	`5`		A	`37`	`14`	`13042`	`◊`	B	x,y-1,z	`1_545`	`37`	`15`	`13055`	`319.6`	`-3.3`	`0.361`	`1`	`0`	`0`	`0.000`
5	`6`		A	`33`	`12`	`13042`	`x`	A	-x+1,-y,z-1/2	`2_654`	`36`	`12`	`13042`	`318.5`	`-2.9`	`0.341`	`5`	`0`	`0`	`0.000`
6	`7`		B	`28`	`9`	`13055`	`x`	B	-x+2,-y+1,z-1/2	`2_764`	`30`	`10`	`13055`	`254.0`	`-0.5`	`0.688`	`7`	`0`	`0`	`0.000`
7	`8`		A	`24`	`7`	`13042`	`x`	A	x-1,y,z	`1_455`	`34`	`12`	`13042`	`232.3`	`0.8`	`0.795`	`2`	`0`	`0`	`0.000`
8	`9`		B	`26`	`6`	`13055`	`◊`	A	x-1,y,z	`1_455`	`24`	`9`	`13042`	`201.2`	`-1.7`	`0.466`	`0`	`0`	`0`	`0.000`
9	`10`		B	`12`	`4`	`13055`	`◊`	A	-x+2,-y+1,z-1/2	`2_764`	`9`	`5`	`13042`	`71.4`	`-0.1`	`0.620`	`0`	`0`	`0`	`0.000`
10	`11`		A	`1`	`1`	`13042`	`◊`	B	-x+2,-y+1,z-1/2	`2_764`	`2`	`1`	`13055`	`22.8`	`-0.2`	`0.265`	`0`	`0`	`0`	`0.000`
11	`12`		A	`3`	`2`	`13042`	`◊`	B	x-1,y-1,z	`1_445`	`4`	`2`	`13055`	`16.1`	`-0.0`	`0.604`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe