PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=671-I5-4FC)

Interfaces in PDB 2brb crystal.
Space symmetry group: P 1 21 1. Resolution: 2.10 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	`54`	`22`	`14005`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`58`	`19`	`14005`	`468.3`	`-3.9`	`0.303`	`4`	`0`	`0`	`0.000`
`2`		A	`45`	`10`	`14005`	`x`	A	x-1,y,z	`1_455`	`49`	`16`	`14005`	`365.2`	`-1.2`	`0.638`	`1`	`1`	`0`	`0.000`
`3`		[PFQ]A:1277	`24`	`1`	`521`	`f`	A	x,y,z	`1_555`	`43`	`17`	`14005`	`351.2`	`-0.5`	`0.416`	`1`	`0`	`0`	`0.005`
`4`		A	`25`	`6`	`14005`	`x`	A	x,y,z-1	`1_554`	`33`	`12`	`14005`	`311.7`	`-0.3`	`0.605`	`6`	`3`	`0`	`0.000`
`5`		[SO4]A:1278	`5`	`1`	`184`	`f`	A	x,y,z	`1_555`	`18`	`7`	`14005`	`103.1`	`-14.7`	`0.901`	`7`	`0`	`0`	`0.095`
`6`		A	`4`	`2`	`14005`	`x`	A	-x,y-1/2,-z	`2_545`	`2`	`1`	`14005`	`29.7`	`-0.0`	`0.444`	`0`	`0`	`0`	`0.000`
`7`		A	`6`	`2`	`14005`	`x`	A	-x+1,y-1/2,-z	`2_645`	`4`	`2`	`14005`	`22.2`	`0.2`	`0.698`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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