PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=331-92-3AN)

Interfaces in PDB 4c4h crystal.
Space symmetry group: I 2 2 2. Resolution: 2.80 Å

STRUCTURE-BASED DESIGN OF ORALLY BIOAVAILABLE PYRROLOPYRIDINE INHIBITORS OF THE MITOTIC KINASE MPS1

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	`65`	`22`	`12200`	`◊`	A	-x,-y-1,z	`2_545`	`65`	`22`	`12200`	`761.7`	`-9.2`	`0.217`	`12`	`2`	`0`	`0.400`
`2`		A	`55`	`15`	`12200`	`x`	A	x-1/2,-y-1/2,-z-1/2	`7_444`	`68`	`17`	`12200`	`544.0`	`-4.0`	`0.507`	`5`	`3`	`0`	`0.000`
`3`		[7RO]A:1795	`33`	`1`	`708`	`f`	A	x,y,z	`1_555`	`52`	`22`	`12200`	`474.8`	`-3.6`	`0.424`	`3`	`0`	`0`	`0.268`
`4`		A	`32`	`12`	`12200`	`◊`	A	-x,y,-z	`4_555`	`32`	`12`	`12200`	`297.0`	`-3.6`	`0.409`	`2`	`0`	`0`	`0.000`
`5`		[7PE]A:1796	`10`	`1`	`311`	`f`	A	x,y,z	`1_555`	`34`	`13`	`12200`	`204.4`	`-3.9`	`0.655`	`2`	`0`	`0`	`0.258`
`6`		[7PE]A:1796	`3`	`1`	`311`	`f`	[7RO]A:1795	x,y,z	`1_555`	`3`	`1`	`708`	`39.0`	`-1.4`	`0.411`	`0`	`0`	`0`	`0.073`

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

Protein Data Bank
in Europe