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PISA Interface List.

Session Map (id=566-IO-M1O)

Interfaces in PDB 2fqi crystal.
Space symmetry group: P 32 2 1. Resolution: 1.95 Å

DUAL BINDING MODES 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`	`45`	`15242`	`◊`	A	y,x,-z	`4_555`	`155`	`45`	`15242`	`1430.7`	`10.6`	`0.936`	`26`	`16`	`0`	`0.000`
`2`		A	`64`	`17`	`15242`	`x`	A	-y+1,x-y,z-1/3	`2_654`	`65`	`18`	`15242`	`578.0`	`3.6`	`0.803`	`8`	`0`	`0`	`0.000`
`3`		[ILH]A:600	`32`	`1`	`617`	`f`	A	x,y,z	`1_555`	`65`	`26`	`15242`	`461.3`	`5.6`	`0.151`	`6`	`0`	`0`	`0.000`
`4`		[FMN]A:698	`31`	`1`	`604`	`f`	A	x,y,z	`1_555`	`65`	`29`	`15242`	`385.9`	`-4.7`	`0.478`	`17`	`0`	`0`	`0.035`
`5`		A	`26`	`9`	`15242`	`x`	A	x-y,-y+1,-z+1/3	`5_565`	`30`	`8`	`15242`	`251.9`	`0.3`	`0.554`	`4`	`0`	`0`	`0.000`
`6`		[ORO]A:699	`11`	`1`	`283`	`f`	A	x,y,z	`1_555`	`24`	`13`	`15242`	`138.6`	`3.0`	`0.509`	`10`	`0`	`0`	`0.004`
`7`		[ACT]A:602	`4`	`1`	`183`	`f`	A	x,y,z	`1_555`	`23`	`11`	`15242`	`105.4`	`-0.9`	`0.557`	`1`	`0`	`0`	`0.004`
`8`		[ACT]A:603	`4`	`1`	`182`	`f`	A	x,y,z	`1_555`	`17`	`8`	`15242`	`105.2`	`-0.6`	`0.585`	`0`	`0`	`0`	`0.002`
`9`		[SO4]A:604	`5`	`1`	`186`	`f`	A	x,y,z	`1_555`	`16`	`7`	`15242`	`91.9`	`-10.4`	`0.871`	`3`	`0`	`0`	`0.034`
`10`		[SO4]A:605	`5`	`1`	`186`	`f`	A	x,y,z	`1_555`	`8`	`3`	`15242`	`86.7`	`-10.9`	`0.911`	`3`	`0`	`0`	`0.036`
`11`		[ACT]A:601	`4`	`1`	`183`	`f`	A	x,y,z	`1_555`	`12`	`5`	`15242`	`85.6`	`-0.2`	`0.650`	`1`	`0`	`0`	`0.002`
`12`		[ORO]A:699	`10`	`1`	`283`	`f`	[FMN]A:698	x,y,z	`1_555`	`17`	`1`	`604`	`69.6`	`2.1`	`0.294`	`0`	`0`	`0`	`0.000`
`13`		[ACT]A:601	`4`	`1`	`183`	`◊`	A	y,x,-z	`4_555`	`12`	`5`	`15242`	`65.0`	`-0.4`	`0.624`	`0`	`0`	`0`	`0.000`
`14`		A	`7`	`2`	`15242`	`◊`	[SO4]A:605	-y+1,x-y,z-1/3	`2_654`	`4`	`1`	`186`	`34.0`	`-4.4`	`0.622`	`0`	`0`	`0`	`0.000`
`15`		[ILH]A:600	`2`	`1`	`617`	`f`	[FMN]A:698	x,y,z	`1_555`	`2`	`1`	`604`	`23.6`	`0.5`	`0.515`	`0`	`0`	`0`	`0.000`
`16`		[ACT]A:603	`3`	`1`	`182`	`f`	[ACT]A:602	x,y,z	`1_555`	`3`	`1`	`183`	`16.4`	`0.3`	`0.776`	`0`	`0`	`0`	`0.000`

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