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Session Map (id=117-9A-OD1)

Interfaces in PDB 3in7 crystal.
Space symmetry group: P 21 21 21. Resolution: 2.00 Å

CRYSTAL STRUCTURE OF THE GRB2 SH2 DOMAIN IN COMPLEX WITH A CYCLOPROPYL-CONSTRAINED AC-PY-Q-N-NH2 TRIPEPTIDE MIMIC

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`		C	`110`	`29`	`6272`	`◊`	A	x,y,z	`1_555`	`114`	`30`	`6212`	`1064.1`	`-11.7`	`0.179`	`18`	`2`	`0`	`0.640`
2	`2`		[AYQ]A:1	`31`	`1`	`762`	`f`	A	x,y,z	`1_555`	`46`	`13`	`6212`	`395.7`	`-0.2`	`0.512`	`13`	`0`	`0`	`0.360`
	`3`		[AYQ]C:1	`31`	`1`	`760`	`f`	C	x,y,z	`1_555`	`50`	`15`	`6272`	`388.6`	`0.5`	`0.561`	`13`	`0`	`0`	`0.360`
	*Average:*													`392.1`	`0.2`	`0.536`	`13`	`0`	`0`	`0.360`
3	`4`		A	`32`	`8`	`6212`	`◊`	C	-x,y-1/2,-z+1/2	`3_545`	`32`	`7`	`6272`	`271.2`	`-0.2`	`0.619`	`5`	`1`	`0`	`0.000`
4	`5`		C	`22`	`5`	`6272`	`◊`	A	x-1/2,-y+1/2,-z	`4_455`	`22`	`6`	`6212`	`200.4`	`2.7`	`0.876`	`3`	`4`	`0`	`0.000`
5	`6`		A	`16`	`5`	`6212`	`x`	A	x-1/2,-y-1/2,-z	`4_445`	`12`	`2`	`6212`	`169.2`	`1.2`	`0.712`	`2`	`0`	`0`	`0.000`
6	`7`		[AYQ]A:1	`12`	`1`	`762`	`◊`	A	x-1/2,-y-1/2,-z	`4_445`	`11`	`2`	`6212`	`111.9`	`0.8`	`0.628`	`2`	`0`	`0`	`0.000`
7	`8`		A	`10`	`3`	`6212`	`◊`	C	-x-1/2,-y,z-1/2	`2_454`	`13`	`2`	`6272`	`99.1`	`0.9`	`0.762`	`2`	`0`	`0`	`0.000`
8	`9`		A	`2`	`1`	`6212`	`◊`	[AYQ]C:1	-x-1/2,-y,z-1/2	`2_454`	`3`	`1`	`760`	`9.9`	`0.3`	`0.639`	`0`	`0`	`0`	`0.000`
9	`10`		A	`2`	`1`	`6212`	`◊`	[AYQ]A:1	x-1/2,-y-1/2,-z	`4_445`	`1`	`1`	`762`	`3.2`	`0.0`	`0.598`	`0`	`0`	`0`	`0.000`
10	`11`		C	`1`	`1`	`6272`	`x`	C	-x-1,y-1/2,-z+1/2	`3_445`	`1`	`1`	`6272`	`0.8`	`-0.0`	`0.553`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe