PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=115-F1-1D5)

Interfaces in PDB 2bro crystal.
Space symmetry group: P 1 21 1. Resolution: 2.20 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	`56`	`21`	`14189`	`x`	A	-x,y-1/2,-z	`2_545`	`50`	`15`	`14189`	`454.3`	`-4.8`	`0.307`	`4`	`0`	`0`	`0.000`
`2`		A	`49`	`16`	`14189`	`x`	A	x-1,y,z	`1_455`	`45`	`10`	`14189`	`401.3`	`0.8`	`0.724`	`5`	`1`	`0`	`0.000`
`3`		A	`45`	`12`	`14189`	`x`	A	x,y,z-1	`1_554`	`40`	`10`	`14189`	`398.2`	`1.6`	`0.680`	`4`	`8`	`0`	`0.000`
`4`		[DF2]A:1277	`26`	`1`	`555`	`f`	A	x,y,z	`1_555`	`55`	`22`	`14189`	`386.8`	`-1.5`	`0.458`	`1`	`0`	`0`	`0.100`
`5`		A	`31`	`8`	`14189`	`x`	A	x-1,y,z-1	`1_454`	`30`	`9`	`14189`	`233.7`	`-2.3`	`0.370`	`0`	`0`	`0`	`0.000`
`6`		A	`10`	`3`	`14189`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`7`	`3`	`14189`	`88.9`	`-1.6`	`0.228`	`0`	`0`	`0`	`0.000`
`7`		A	`7`	`3`	`14189`	`x`	A	-x,y-1/2,-z+1	`2_546`	`4`	`1`	`14189`	`43.1`	`-0.3`	`0.544`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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