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Interfaces in PDB 3mna crystal.
Space symmetry group: P 1 21 1. Resolution: 1.50 Å

THE CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A 1,3,5-TRIAZINE-SUBSTITUTED BENZENESULFONAMIDE INHIBITOR

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	`54`	`17`	`11735`	`x`	A	x-1,y,z	`1_455`	`40`	`9`	`11735`	`418.7`	`-0.5`	`0.539`	`1`	`4`	`0`	`0.000`
`2`		A	`37`	`12`	`11735`	`x`	A	-x,y-1/2,-z+1	`2_546`	`44`	`16`	`11735`	`381.4`	`1.7`	`0.724`	`1`	`0`	`0`	`0.000`
`3`		A	`34`	`10`	`11735`	`x`	A	-x-1,y-1/2,-z	`2_445`	`32`	`11`	`11735`	`331.9`	`0.6`	`0.572`	`0`	`1`	`0`	`0.000`
`4`		A	`37`	`10`	`11735`	`x`	A	x,y-1,z	`1_545`	`32`	`10`	`11735`	`315.7`	`1.0`	`0.670`	`3`	`0`	`0`	`0.000`
`5`		[DWH]A:263	`20`	`1`	`558`	`f`	A	x,y,z	`1_555`	`36`	`16`	`11735`	`258.7`	`-3.4`	`0.414`	`3`	`0`	`0`	`0.010`
`6`		A	`28`	`10`	`11735`	`x`	A	-x,y-1/2,-z	`2_545`	`32`	`13`	`11735`	`255.8`	`-1.4`	`0.258`	`0`	`1`	`0`	`0.000`
`7`		[GOL]A:401	`6`	`1`	`219`	`f`	A	x,y,z	`1_555`	`19`	`10`	`11735`	`111.2`	`-0.0`	`0.579`	`4`	`0`	`0`	`0.004`
`8`		[GOL]A:401	`4`	`1`	`219`	`f`	[DWH]A:263	x,y,z	`1_555`	`12`	`1`	`558`	`53.0`	`0.3`	`0.538`	`0`	`0`	`0`	`0.000`
`9`		[ZN]A:262	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`6`	`5`	`11735`	`33.0`	`-23.6`	`0.000`	`0`	`0`	`0`	`0.052`
`10`		A	`3`	`2`	`11735`	`◊`	[DWH]A:263	-x,y-1/2,-z	`2_545`	`2`	`1`	`558`	`32.0`	`0.2`	`0.523`	`0`	`0`	`0`	`0.000`
`11`		[DWH]A:263	`4`	`1`	`558`	`f`	[ZN]A:262	x,y,z	`1_555`	`1`	`1`	`98`	`29.7`	`-11.5`	`0.000`	`0`	`0`	`0`	`0.025`
`12`		[GOL]A:401	`2`	`1`	`219`	`f`	[ZN]A:262	x,y,z	`1_555`	`1`	`1`	`98`	`10.7`	`-4.0`	`0.000`	`0`	`0`	`0`	`0.009`

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

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