PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=371-E1-3O4)

Interfaces in PDB 5eho crystal.
Space symmetry group: I 2 2 2. Resolution: 2.18 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	`90`	`24`	`12287`	`◊`	A	-x,-y-1,z	`2_545`	`90`	`24`	`12287`	`891.8`	`-16.0`	`0.089`	`0`	`0`	`0`	`1.000`
`2`		A	`51`	`13`	`12287`	`x`	A	x-1/2,-y-1/2,-z-1/2	`8_444`	`67`	`16`	`12287`	`521.6`	`-4.1`	`0.545`	`5`	`3`	`0`	`0.000`
`3`		[5O1]A:901	`32`	`1`	`647`	`◊`	A	x,y,z	`1_555`	`59`	`25`	`12287`	`452.0`	`3.0`	`0.482`	`1`	`0`	`0`	`0.000`
`4`		A	`42`	`13`	`12287`	`◊`	A	-x,y,-z	`3_555`	`42`	`13`	`12287`	`395.6`	`-1.9`	`0.734`	`6`	`0`	`0`	`0.000`
`5`		[DMS]A:902	`4`	`1`	`204`	`f`	A	x,y,z	`1_555`	`17`	`7`	`12287`	`106.5`	`1.3`	`0.455`	`0`	`0`	`0`	`0.000`
`6`		[5O1]A:901	`1`	`1`	`647`	`f`	A	-x,y,-z	`3_555`	`3`	`1`	`12287`	`9.8`	`0.2`	`0.581`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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