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PISA Interface List.

Session Map (id=316-DE-2A3)

Interfaces in PDB 2bxv crystal.
Space symmetry group: P 32 2 1. Resolution: 2.15 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	`157`	`43`	`15479`	`◊`	A	-x+2,-x+y+1,-z+2/3	`6_765`	`154`	`43`	`15479`	`1409.4`	`9.7`	`0.946`	`24`	`16`	`0`	`0.000`
`2`		A	`66`	`18`	`15479`	`x`	A	-y+1,x-y,z-1/3	`2_654`	`60`	`17`	`15479`	`569.4`	`3.6`	`0.835`	`8`	`0`	`0`	`0.000`
`3`		[3FT]A:1401	`29`	`1`	`599`	`f`	A	x,y,z	`1_555`	`64`	`26`	`15479`	`440.7`	`-3.4`	`0.210`	`5`	`0`	`0`	`0.017`
`4`		[FMN]A:1399	`31`	`1`	`609`	`f`	A	x,y,z	`1_555`	`64`	`28`	`15479`	`391.4`	`-4.6`	`0.499`	`18`	`0`	`0`	`0.039`
`5`		A	`30`	`8`	`15479`	`x`	A	x-y,-y+1,-z+1/3	`5_565`	`24`	`9`	`15479`	`243.0`	`-0.9`	`0.482`	`5`	`0`	`0`	`0.000`
`6`		[ORO]A:1400	`11`	`1`	`282`	`f`	A	x,y,z	`1_555`	`24`	`12`	`15479`	`138.8`	`2.9`	`0.487`	`11`	`0`	`0`	`0.006`
`7`		[SO4]A:1397	`5`	`1`	`187`	`f`	A	x,y,z	`1_555`	`7`	`3`	`15479`	`87.1`	`-11.0`	`0.919`	`3`	`0`	`0`	`0.039`
`8`		[ACT]A:1398	`4`	`1`	`184`	`f`	A	x,y,z	`1_555`	`12`	`5`	`15479`	`82.7`	`-0.4`	`0.630`	`1`	`0`	`0`	`0.003`
`9`		[ORO]A:1400	`10`	`1`	`282`	`f`	[FMN]A:1399	x,y,z	`1_555`	`17`	`1`	`609`	`70.9`	`2.2`	`0.273`	`0`	`0`	`0`	`0.000`
`10`		[ACT]A:1398	`4`	`1`	`184`	`◊`	A	-x+2,-x+y+1,-z+2/3	`6_765`	`13`	`5`	`15479`	`67.3`	`-0.4`	`0.636`	`0`	`0`	`0`	`0.000`
`11`		[SO4]A:1397	`4`	`1`	`187`	`◊`	A	-y+1,x-y,z-1/3	`2_654`	`6`	`2`	`15479`	`32.2`	`-4.2`	`0.622`	`0`	`0`	`0`	`0.000`
`12`		[3FT]A:1401	`2`	`1`	`599`	`f`	[FMN]A:1399	x,y,z	`1_555`	`2`	`1`	`609`	`19.9`	`-0.9`	`0.320`	`0`	`0`	`0`	`0.003`

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