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Session Map (id=119-40-C32)

Interfaces in PDB 5l87 crystal.
Space symmetry group: C 1 2 1. Resolution: 0.87 Å

TARGETING THE PEX14-PEX5 INTERACTION BY SMALL MOLECULES PROVIDES NOVEL THERAPEUTIC ROUTES TO TREAT TRYPANOSOMIASES.

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`		[6RD]A:101	`33`	`1`	`705`	`f`	A	x,y,z	`1_555`	`53`	`15`	`4057`	`383.0`	`-7.8`	`0.544`	`0`	`0`	`0`	`0.108`
`2`		A	`29`	`10`	`4057`	`◊`	A	-x,y,-z	`2_555`	`29`	`10`	`4057`	`265.0`	`-2.6`	`0.394`	`0`	`2`	`0`	`0.000`
`3`		A	`28`	`10`	`4057`	`◊`	A	-x+1,y,-z+1	`2_656`	`28`	`10`	`4057`	`264.6`	`-2.6`	`0.379`	`0`	`0`	`0`	`0.011`
`4`		A	`17`	`7`	`4057`	`x`	A	-x+1/2,y-1/2,-z	`4_545`	`14`	`4`	`4057`	`154.2`	`-1.7`	`0.391`	`1`	`0`	`0`	`0.000`
`5`		A	`15`	`5`	`4057`	`x`	A	x-1/2,y-1/2,z	`3_445`	`17`	`7`	`4057`	`148.5`	`2.4`	`0.855`	`1`	`0`	`0`	`0.000`
`6`		A	`18`	`6`	`4057`	`x`	A	x-1/2,y+1/2,z	`3_455`	`9`	`2`	`4057`	`128.4`	`-0.2`	`0.593`	`0`	`0`	`0`	`0.000`
`7`		[6RD]A:101	`12`	`1`	`705`	`◊`	A	-x+1,y,-z+1	`2_656`	`15`	`4`	`4057`	`121.5`	`-3.0`	`0.499`	`0`	`0`	`0`	`0.026`
`8`		A	`10`	`2`	`4057`	`◊`	[6RD]A:101	x-1/2,y-1/2,z	`3_445`	`13`	`1`	`705`	`84.7`	`-0.9`	`0.786`	`0`	`0`	`0`	`0.000`
`9`		[EDO]A:102	`4`	`1`	`184`	`◊`	[EDO]A:102	-x,y,-z	`2_555`	`4`	`1`	`184`	`64.4`	`2.9`	`0.125`	`0`	`0`	`0`	`0.000`
`10`		[EDO]A:102	`4`	`1`	`184`	`f`	A	x,y,z	`1_555`	`10`	`6`	`4057`	`59.9`	`0.6`	`0.582`	`0`	`0`	`0`	`0.000`
`11`		[EDO]A:102	`4`	`1`	`184`	`◊`	A	-x,y,-z	`2_555`	`10`	`6`	`4057`	`59.8`	`0.6`	`0.590`	`0`	`0`	`0`	`0.000`
`12`		[6RD]A:101	`1`	`1`	`705`	`◊`	[6RD]A:101	-x+1,y,-z+1	`2_656`	`1`	`1`	`705`	`5.0`	`0.1`	`0.853`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe