PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=116-44-18L)

Interfaces in PDB 5eh0 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	`88`	`24`	`12313`	`◊`	A	-x,-y-1,z	`2_545`	`88`	`24`	`12313`	`925.4`	`-15.8`	`0.113`	`4`	`0`	`0`	`0.932`
`2`		A	`52`	`13`	`12313`	`x`	A	x-1/2,-y-1/2,-z-1/2	`8_444`	`66`	`16`	`12313`	`520.8`	`-4.0`	`0.581`	`3`	`3`	`0`	`0.000`
`3`		[5NW]A:801	`30`	`1`	`656`	`f`	A	x,y,z	`1_555`	`55`	`23`	`12313`	`442.2`	`-0.8`	`0.450`	`2`	`0`	`0`	`0.262`
`4`		A	`40`	`14`	`12313`	`◊`	A	-x,y,-z	`3_555`	`40`	`14`	`12313`	`371.1`	`-4.1`	`0.519`	`2`	`0`	`0`	`0.213`
`5`		[DMS]A:802	`4`	`1`	`209`	`f`	A	x,y,z	`1_555`	`20`	`8`	`12313`	`118.1`	`1.5`	`0.417`	`1`	`0`	`0`	`0.000`
`6`		[5NW]A:801	`1`	`1`	`656`	`◊`	A	-x,y,-z	`3_555`	`3`	`1`	`12313`	`12.8`	`0.2`	`0.600`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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