PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=316-63-HFH)

Interfaces in PDB 1wbs crystal.
Space symmetry group: P 21 21 21. Resolution: 1.80 Å

IDENTIFICATION OF NOVEL P38 ALPHA MAP KINASE INHIBITORS USING FRAGMENT-BASED LEAD GENERATION.

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	`66`	`18`	`17439`	`x`	A	-x,y-1/2,-z+1/2	`3_545`	`67`	`18`	`17439`	`575.9`	`-3.4`	`0.429`	`6`	`2`	`0`	`0.000`
`2`		[LI2]A:1355	`33`	`1`	`694`	`f`	A	x,y,z	`1_555`	`68`	`28`	`17439`	`504.4`	`-3.5`	`0.197`	`5`	`0`	`0`	`0.073`
`3`		A	`44`	`14`	`17439`	`x`	A	x-1,y,z	`1_455`	`55`	`17`	`17439`	`432.4`	`-2.2`	`0.482`	`3`	`1`	`0`	`0.000`
`4`		A	`38`	`12`	`17439`	`x`	A	x-1/2,-y+1/2,-z+1	`4_456`	`44`	`13`	`17439`	`388.5`	`-2.2`	`0.436`	`5`	`0`	`0`	`0.000`
`5`		A	`13`	`6`	`17439`	`◊`	[GOL]A:1356	x-1,y,z	`1_455`	`6`	`1`	`221`	`97.2`	`-0.6`	`0.467`	`2`	`0`	`0`	`0.000`
`6`		[GOL]A:1356	`5`	`1`	`221`	`f`	A	x,y,z	`1_555`	`15`	`7`	`17439`	`88.7`	`-0.4`	`0.514`	`4`	`0`	`0`	`0.027`
`7`		A	`2`	`1`	`17439`	`x`	A	-x+1,y-1/2,-z+1/2	`3_645`	`2`	`1`	`17439`	`1.0`	`-0.0`	`0.573`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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