PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=111-EA-DH2)

Interfaces in PDB 2ydi crystal.
Space symmetry group: P 1 21 1. Resolution: 1.60 Å

DISCOVERY OF CHECKPOINT KINASE INHIBITOR AZD7762 BY STRUCTURE BASED DESIGN AND OPTIMIZATION OF THIOPHENE CARBOXAMIDE UREAS

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	`60`	`21`	`14752`	`x`	A	-x,y-1/2,-z	`2_545`	`54`	`18`	`14752`	`441.4`	`-4.5`	`0.298`	`4`	`0`	`0`	`0.000`
`2`		A	`51`	`12`	`14752`	`x`	A	-x,y-1/2,-z+1	`2_546`	`31`	`7`	`14752`	`366.8`	`-3.1`	`0.380`	`7`	`0`	`0`	`0.000`
`3`		A	`47`	`17`	`14752`	`x`	A	x-1,y,z	`1_455`	`38`	`8`	`14752`	`351.8`	`-2.2`	`0.500`	`4`	`0`	`0`	`0.000`
`4`		A	`35`	`11`	`14752`	`x`	A	x,y,z-1	`1_554`	`29`	`8`	`14752`	`319.5`	`-0.0`	`0.619`	`5`	`4`	`0`	`0.000`
`5`		[YDI]A:1282	`23`	`1`	`565`	`f`	A	x,y,z	`1_555`	`40`	`19`	`14752`	`314.3`	`0.7`	`0.419`	`2`	`0`	`0`	`0.001`
`6`		[SO4]A:1281	`5`	`1`	`184`	`f`	A	x,y,z	`1_555`	`17`	`7`	`14752`	`97.7`	`-13.7`	`0.902`	`6`	`0`	`0`	`0.099`
`7`		A	`8`	`4`	`14752`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`2`	`1`	`14752`	`28.4`	`-0.3`	`0.320`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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