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Interfaces in PDB 3mxc crystal.
Space symmetry group: P 61 2 2. Resolution: 2.00 Å

STRUCTURES OF GRB2-SH2 DOMAIN AND AICD PEPTIDE COMPLEXES REVEAL A CONFORMATIONAL SWITCH AND THEIR FUNCTIONAL IMPLICATIONS.

Interfaces

##		Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
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`		A	`119`	`31`	`6021`	`◊`	A	-x+y,y,-z+1/2	`11_555`	`118`	`31`	`6021`	`1105.1`	`-10.8`	`0.180`	`16`	`4`	`0`	`1.000`
`2`		L	`37`	`6`	`1055`	`◊`	A	x,y,z	`1_555`	`53`	`16`	`6021`	`451.1`	`-6.8`	`0.497`	`12`	`0`	`0`	`1.000`
`3`		A	`38`	`12`	`6021`	`◊`	A	-y+1,-x+1,-z+5/6	`10_665`	`38`	`12`	`6021`	`334.8`	`-3.5`	`0.308`	`4`	`0`	`0`	`0.000`
`4`		A	`24`	`9`	`6021`	`x`	A	-x+1,-x+y,-z+2/3	`9_655`	`23`	`7`	`6021`	`174.3`	`1.8`	`0.739`	`3`	`2`	`0`	`0.000`
`5`		A	`19`	`4`	`6021`	`◊`	A	-y+2,-x+2,-z+5/6	`10_775`	`19`	`4`	`6021`	`168.8`	`-1.2`	`0.456`	`0`	`0`	`0`	`0.000`
`6`		A	`16`	`5`	`6021`	`x`	A	x-y+1,x+1,z+1/6	`6_665`	`17`	`6`	`6021`	`152.2`	`2.6`	`0.831`	`4`	`0`	`0`	`0.000`
`7`		L	`17`	`5`	`1055`	`◊`	A	-x+1,-x+y,-z+2/3	`9_655`	`15`	`5`	`6021`	`142.2`	`-1.0`	`0.581`	`0`	`0`	`0`	`0.000`
`8`		L	`6`	`2`	`1055`	`◊`	L	-y+1,-x+1,-z+5/6	`10_665`	`7`	`2`	`1055`	`76.1`	`-1.6`	`0.518`	`0`	`0`	`0`	`0.000`
`9`		L	`5`	`2`	`1055`	`◊`	A	-y+1,-x+1,-z+5/6	`10_665`	`2`	`1`	`6021`	`30.6`	`0.9`	`0.867`	`0`	`0`	`0`	`0.000`
`10`		L	`2`	`1`	`1055`	`◊`	A	x-y+1,x,z+1/6	`6_655`	`2`	`1`	`6021`	`28.3`	`-0.9`	`0.215`	`0`	`0`	`0`	`0.000`
`11`		A	`1`	`1`	`6021`	`◊`	A	x-y+1,-y+2,-z+1	`8_676`	`1`	`1`	`6021`	`0.7`	`-0.0`	`0.563`	`0`	`0`	`0`	`0.000`

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

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