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PISA Interface List.

Session Map (id=673-66-81L)

Interfaces in PDB 2fpt crystal.
Space symmetry group: P 32 2 1. Resolution: 2.40 Å

DUAL BINDING MODE OF A NOVEL SERIES OF DHODH INHIBITORS

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	`158`	`44`	`15228`	`◊`	A	y,x,-z	`4_555`	`154`	`44`	`15228`	`1421.7`	`9.0`	`0.927`	`28`	`16`	`0`	`0.000`
`2`		A	`62`	`17`	`15228`	`x`	A	-y+1,x-y,z-1/3	`2_654`	`64`	`17`	`15228`	`559.7`	`3.6`	`0.817`	`8`	`0`	`0`	`0.000`
`3`		[ILB]A:405	`30`	`1`	`619`	`f`	A	x,y,z	`1_555`	`63`	`27`	`15228`	`465.8`	`0.1`	`0.167`	`7`	`0`	`0`	`0.004`
`4`		[FMN]A:398	`31`	`1`	`605`	`f`	A	x,y,z	`1_555`	`66`	`28`	`15228`	`390.4`	`-4.7`	`0.488`	`18`	`0`	`0`	`0.019`
`5`		A	`26`	`9`	`15228`	`x`	A	x-y,-y+1,-z+1/3	`5_565`	`31`	`8`	`15228`	`236.9`	`-0.7`	`0.476`	`5`	`0`	`0`	`0.000`
`6`		[ORO]A:399	`11`	`1`	`285`	`f`	A	x,y,z	`1_555`	`23`	`12`	`15228`	`139.4`	`3.0`	`0.515`	`11`	`0`	`0`	`0.003`
`7`		[SO4]A:403	`5`	`1`	`185`	`f`	A	x,y,z	`1_555`	`18`	`9`	`15228`	`109.4`	`-14.7`	`0.666`	`1`	`0`	`0`	`0.022`
`8`		[SO4]A:404	`5`	`1`	`185`	`f`	A	x,y,z	`1_555`	`14`	`7`	`15228`	`88.7`	`-10.2`	`0.888`	`2`	`0`	`0`	`0.016`
`9`		[ACT]A:401	`4`	`1`	`182`	`f`	A	x,y,z	`1_555`	`14`	`5`	`15228`	`87.3`	`-0.3`	`0.625`	`1`	`0`	`0`	`0.001`
`10`		[SO4]A:402	`5`	`1`	`185`	`f`	A	x,y,z	`1_555`	`15`	`5`	`15228`	`86.4`	`-11.8`	`0.805`	`2`	`0`	`0`	`0.019`
`11`		[SO4]A:400	`5`	`1`	`186`	`f`	A	x,y,z	`1_555`	`7`	`3`	`15228`	`86.3`	`-10.9`	`0.919`	`3`	`0`	`0`	`0.018`
`12`		[ORO]A:399	`10`	`1`	`285`	`f`	[FMN]A:398	x,y,z	`1_555`	`17`	`1`	`605`	`68.8`	`2.1`	`0.292`	`0`	`0`	`0`	`0.000`
`13`		A	`8`	`3`	`15228`	`◊`	[SO4]A:402	-y+1,x-y,z-1/3	`2_654`	`5`	`1`	`185`	`67.5`	`-7.3`	`0.935`	`1`	`0`	`0`	`0.000`
`14`		[ACT]A:401	`4`	`1`	`182`	`◊`	A	y,x,-z	`4_555`	`11`	`5`	`15228`	`65.5`	`-0.5`	`0.607`	`0`	`0`	`0`	`0.000`
`15`		A	`7`	`2`	`15228`	`◊`	[SO4]A:400	-y+1,x-y,z-1/3	`2_654`	`4`	`1`	`186`	`32.4`	`-4.4`	`0.626`	`0`	`0`	`0`	`0.000`
`16`		[ILB]A:405	`2`	`1`	`619`	`f`	[FMN]A:398	x,y,z	`1_555`	`2`	`1`	`605`	`24.6`	`0.1`	`0.463`	`0`	`0`	`0`	`0.000`
`17`		[SO4]A:402	`1`	`1`	`185`	`f`	[SO4]A:400	x,y,z	`1_555`	`1`	`1`	`186`	`4.8`	`-1.1`	`0.800`	`0`	`0`	`0`	`0.002`

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