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Session Map (id=722-E7-DDF)

Interfaces in PDB 5uig crystal.
Space symmetry group: P 41 21 2. Resolution: 3.50 Å

CRYSTAL STRUCTURE OF ADENOSINE A2A RECEPTOR BOUND TO A NOVEL TRIAZOLE- CARBOXIMIDAMIDE ANTAGONIST

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	`127`	`37`	`19306`	`◊`	A	y+1,x-1,-z	`7_645`	`128`	`37`	`19306`	`1346.2`	`-33.9`	`0.027`	`8`	`0`	`0`	`0.885`
`2`		[8D1]A:503	`25`	`1`	`578`	`f`	A	x,y,z	`1_555`	`58`	`21`	`19306`	`418.1`	`-6.0`	`0.574`	`3`	`0`	`0`	`0.347`
`3`		A	`40`	`11`	`19306`	`x`	A	-y+3/2,x-3/2,z+1/4	`3_635`	`48`	`16`	`19306`	`391.6`	`-0.6`	`0.940`	`4`	`2`	`0`	`0.000`
`4`		[EDT]A:501	`18`	`1`	`430`	`f`	A	x,y,z	`1_555`	`38`	`17`	`19306`	`271.7`	`0.2`	`0.691`	`1`	`0`	`0`	`0.014`
`5`		[MES]A:502	`12`	`1`	`336`	`◊`	A	x,y,z	`1_555`	`23`	`10`	`19306`	`200.8`	`4.9`	`0.369`	`0`	`0`	`0`	`0.000`
`6`		A	`16`	`3`	`19306`	`x`	A	-y+3/2,x-3/2,z-3/4	`3_634`	`16`	`7`	`19306`	`152.5`	`0.3`	`0.896`	`3`	`0`	`0`	`0.000`
`7`		A	`11`	`4`	`19306`	`x`	A	x-1/2,-y+1/2,-z+3/4	`6_455`	`9`	`4`	`19306`	`103.2`	`-0.8`	`0.576`	`2`	`0`	`0`	`0.000`
`8`		[MES]A:502	`3`	`1`	`336`	`f`	A	y+1,x-1,-z	`7_645`	`2`	`1`	`19306`	`26.7`	`0.3`	`0.137`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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