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PISA Interface List.

Session Map (id=569-44-LKM)

Interfaces in PDB 2g21 crystal.
Space symmetry group: P 21 3. Resolution: 2.20 Å

KETOPIPERAZINE-BASED RENIN INHIBITORS: OPTIMIZATION OF THE "C" RING

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	`75`	`26`	`14346`	`◊`	A	-z+1,x+1/2,-y+3/2	`8_656`	`82`	`28`	`14438`	`770.4`	`-1.7`	`0.645`	`10`	`2`	`0`	`0.289`
2	`2`		B	`67`	`17`	`14346`	`x`	B	-z+1,x+1/2,-y+3/2	`8_656`	`67`	`19`	`14346`	`673.3`	`-10.1`	`0.066`	`3`	`3`	`0`	`1.000`
3	`3`		A	`57`	`16`	`14438`	`x`	A	-z+1,x+1/2,-y+3/2	`8_656`	`65`	`22`	`14438`	`597.9`	`-7.3`	`0.193`	`2`	`0`	`0`	`0.368`
4	`4`		[L1B]B:985	`23`	`1`	`574`	`f`	B	x,y,z	`1_555`	`66`	`24`	`14346`	`416.6`	`5.0`	`0.556`	`5`	`0`	`0`	`0.000`
	`5`		[L1B]A:885	`23`	`1`	`571`	`f`	A	x,y,z	`1_555`	`64`	`23`	`14438`	`411.0`	`5.4`	`0.593`	`5`	`0`	`0`	`0.000`
	*Average:*													`413.8`	`5.2`	`0.575`	`5`	`0`	`0`	`0.000`
5	`6`		B	`44`	`11`	`14346`	`◊`	A	-x,y-1/2,-z+3/2	`3_546`	`40`	`12`	`14438`	`370.2`	`2.1`	`0.620`	`6`	`1`	`0`	`0.000`
6	`7`		A	`16`	`5`	`14438`	`◊`	B	-z+1,x+1/2,-y+3/2	`8_656`	`21`	`5`	`14346`	`149.0`	`-0.7`	`0.573`	`2`	`2`	`0`	`0.086`
7	`8`		B	`7`	`3`	`14346`	`◊`	A	x-1/2,-y+3/2,-z+2	`4_467`	`12`	`4`	`14438`	`92.2`	`-1.4`	`0.229`	`0`	`0`	`0`	`0.000`
8	`9`		B	`13`	`4`	`14346`	`◊`	A	z-1,x,y	`5_455`	`6`	`2`	`14438`	`66.1`	`0.2`	`0.625`	`0`	`0`	`0`	`0.000`
9	`10`		B	`2`	`1`	`14346`	`◊`	A	x,y,z	`1_555`	`1`	`1`	`14438`	`8.6`	`0.1`	`0.450`	`0`	`0`	`0`	`0.000`

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