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Interfaces in PDB 3bl0 crystal.
Space symmetry group: P 1 21 1. Resolution: 1.90 Å

CARBONIC ANHYDRASE INHIBITORS. INTERACTION OF 2-N,N- DIMETHYLAMINO-1,3,4-THIADIAZOLE-5-METHANESULFONAMIDE WITH TWELVE MAMMALIAN ISOFORMS: KINETIC AND X-RAY CRYSTALLOGRAPHIC STUDIES

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	`46`	`16`	`11645`	`x`	A	x-1,y,z	`1_455`	`40`	`10`	`11645`	`403.4`	`-0.3`	`0.599`	`3`	`2`	`0`	`0.000`
`2`		A	`38`	`10`	`11645`	`x`	A	-x,y-1/2,-z+1	`2_546`	`40`	`16`	`11645`	`334.1`	`0.3`	`0.646`	`2`	`0`	`0`	`0.000`
`3`		A	`32`	`10`	`11645`	`x`	A	-x-1,y-1/2,-z	`2_445`	`33`	`12`	`11645`	`298.8`	`-0.4`	`0.581`	`1`	`1`	`0`	`0.000`
`4`		A	`35`	`10`	`11645`	`x`	A	x,y-1,z	`1_545`	`28`	`9`	`11645`	`288.9`	`0.1`	`0.639`	`3`	`0`	`0`	`0.000`
`5`		A	`32`	`10`	`11645`	`x`	A	-x,y-1/2,-z	`2_545`	`35`	`15`	`11645`	`266.3`	`-2.0`	`0.260`	`2`	`0`	`0`	`0.000`
`6`		[BL0]A:300	`13`	`1`	`376`	`f`	A	x,y,z	`1_555`	`33`	`13`	`11645`	`235.2`	`-3.2`	`0.374`	`4`	`0`	`0`	`0.010`
`7`		[MBO]A:301	`9`	`1`	`311`	`f`	A	x,y,z	`1_555`	`21`	`8`	`11645`	`121.0`	`-5.0`	`0.455`	`0`	`0`	`0`	`0.010`
`8`		A	`12`	`6`	`11645`	`◊`	[MBO]A:301	-x,y-1/2,-z+1	`2_546`	`8`	`1`	`311`	`82.0`	`-0.7`	`0.633`	`1`	`0`	`0`	`0.000`
`9`		[ZN]A:262	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`5`	`4`	`11645`	`36.4`	`-26.4`	`0.000`	`0`	`0`	`0`	`0.054`
`10`		[BL0]A:300	`4`	`1`	`376`	`f`	[ZN]A:262	x,y,z	`1_555`	`1`	`1`	`98`	`30.3`	`-12.3`	`0.000`	`0`	`0`	`0`	`0.025`

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

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PDBePISA

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