PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=575-PF-MB6)

Interfaces in PDB 2brn crystal.
Space symmetry group: P 1 21 1. Resolution: 2.80 Å

STRUCTURE-BASED DESIGN OF NOVEL CHK1 INHIBITORS: INSIGHTS INTO HYDROGEN BONDING AND PROTEIN-LIGAND AFFINITY

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`	`23`	`13401`	`x`	A	-x,y-1/2,-z	`2_545`	`55`	`18`	`13401`	`498.7`	`-4.8`	`0.279`	`4`	`0`	`0`	`0.000`
`2`		[DF1]A:1277	`25`	`1`	`531`	`f`	A	x,y,z	`1_555`	`46`	`20`	`13401`	`365.1`	`-2.6`	`0.335`	`2`	`0`	`0`	`0.100`
`3`		A	`49`	`14`	`13401`	`x`	A	x-1,y,z	`1_455`	`38`	`9`	`13401`	`342.4`	`-0.8`	`0.660`	`1`	`1`	`0`	`0.000`
`4`		A	`38`	`9`	`13401`	`x`	A	x,y,z-1	`1_554`	`30`	`8`	`13401`	`289.8`	`1.9`	`0.843`	`10`	`10`	`0`	`0.000`
`5`		A	`16`	`4`	`13401`	`x`	A	x-1,y,z-1	`1_454`	`19`	`5`	`13401`	`152.5`	`0.4`	`0.599`	`1`	`0`	`0`	`0.000`
`6`		A	`8`	`4`	`13401`	`x`	A	-x,y-1/2,-z+1	`2_546`	`6`	`2`	`13401`	`68.1`	`-1.3`	`0.238`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe