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PISA Interface List.

Session Map (id=423-91-331)

Interfaces in PDB 5ei8 crystal.
Space symmetry group: I 2 2 2. Resolution: 2.17 Å

RAPID DISCOVERY OF PYRIDO[3,4-D]PYRIMIDINE INHIBITORS OF MONOPOLAR SPINDLE KINASE 1 (MPS1) USING A STRUCTURE-BASED HYDRIDIZATION APPROACH

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	`114`	`31`	`12627`	`◊`	A	-x,-y-1,z	`2_545`	`114`	`31`	`12627`	`1149.7`	`-15.9`	`0.262`	`6`	`0`	`0`	`1.000`
`2`		A	`59`	`17`	`12627`	`x`	A	x-1/2,-y-1/2,-z-1/2	`8_444`	`67`	`16`	`12627`	`554.6`	`-4.7`	`0.593`	`5`	`3`	`0`	`0.000`
`3`		A	`50`	`16`	`12627`	`◊`	A	-x,y,-z	`3_555`	`49`	`16`	`12627`	`510.3`	`-2.9`	`0.719`	`6`	`0`	`0`	`0.052`
`4`		[5OE]A:901	`31`	`1`	`618`	`◊`	A	x,y,z	`1_555`	`53`	`23`	`12627`	`428.3`	`1.2`	`0.418`	`1`	`0`	`0`	`0.000`
`5`		[DMS]A:902	`4`	`1`	`207`	`f`	A	x,y,z	`1_555`	`19`	`8`	`12627`	`109.3`	`2.9`	`0.578`	`1`	`0`	`0`	`0.000`
`6`		[DMS]A:903	`4`	`1`	`207`	`f`	A	x,y,z	`1_555`	`17`	`7`	`12627`	`108.5`	`1.1`	`0.414`	`1`	`0`	`0`	`0.000`
`7`		[DMS]A:904	`4`	`1`	`206`	`f`	A	x,y,z	`1_555`	`17`	`5`	`12627`	`99.0`	`1.7`	`0.449`	`1`	`0`	`0`	`0.000`
`8`		[DMS]A:904	`3`	`1`	`206`	`◊`	A	-x,y,-z	`3_555`	`7`	`2`	`12627`	`54.0`	`1.2`	`0.455`	`0`	`0`	`0`	`0.000`
`9`		[5OE]A:901	`1`	`1`	`618`	`f`	A	-x,y,-z	`3_555`	`1`	`1`	`12627`	`17.5`	`0.3`	`0.349`	`0`	`0`	`0`	`0.000`
`10`		[DMS]A:904	`2`	`1`	`206`	`f`	[DMS]A:903	x,y,z	`1_555`	`1`	`1`	`207`	`6.7`	`0.1`	`0.331`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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