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PISA Interface List.

Session Map (id=772-44-0K1)

Interfaces in PDB 4e4a crystal.
Space symmetry group: P 1 21 1. Resolution: 1.45 Å

NUCLEOPHILE RECOGNITION AS AN ALTERNATIVE INHIBITION MODE FOR BENZOIC ACID BASED CARBONIC ANHYDRASE 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	`40`	`13`	`11588`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`44`	`16`	`11588`	`391.6`	`2.2`	`0.769`	`3`	`0`	`0`	`0.000`
`2`		A	`47`	`16`	`11588`	`x`	A	x-1,y,z	`1_455`	`39`	`9`	`11588`	`384.0`	`0.5`	`0.664`	`4`	`3`	`0`	`0.000`
`3`		A	`33`	`10`	`11588`	`x`	A	-x,y-1/2,-z	`2_545`	`28`	`10`	`11588`	`300.4`	`1.2`	`0.690`	`3`	`1`	`0`	`0.000`
`4`		A	`40`	`12`	`11588`	`x`	A	x,y-1,z	`1_545`	`34`	`11`	`11588`	`293.2`	`0.7`	`0.671`	`3`	`0`	`0`	`0.000`
`5`		A	`29`	`9`	`11588`	`x`	A	-x+1,y-1/2,-z	`2_645`	`35`	`15`	`11588`	`271.2`	`-1.2`	`0.403`	`4`	`1`	`0`	`0.000`
`6`		[JKE]A:302	`10`	`1`	`289`	`f`	A	x,y,z	`1_555`	`25`	`12`	`11588`	`182.7`	`-4.1`	`0.540`	`5`	`0`	`0`	`0.010`
`7`		[MBO]A:303	`9`	`1`	`312`	`f`	A	x,y,z	`1_555`	`20`	`8`	`11588`	`119.1`	`-5.1`	`0.447`	`0`	`0`	`0`	`0.008`
`8`		A	`12`	`6`	`11588`	`◊`	[MBO]A:303	-x+1,y-1/2,-z+1	`2_646`	`8`	`1`	`312`	`88.6`	`-0.5`	`0.682`	`1`	`0`	`0`	`0.000`
`9`		[SO4]A:304	`5`	`1`	`183`	`f`	A	x,y,z	`1_555`	`10`	`4`	`11588`	`86.7`	`-11.3`	`0.784`	`2`	`0`	`0`	`0.019`
`10`		[ZN]A:301	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`5`	`4`	`11588`	`43.4`	`-31.9`	`0.000`	`0`	`0`	`0`	`0.051`
`11`		[JKE]A:302	`3`	`1`	`289`	`f`	[ZN]A:301	x,y,z	`1_555`	`1`	`1`	`98`	`18.0`	`-7.0`	`0.000`	`0`	`0`	`0`	`0.011`
`12`		[SO4]A:304	`1`	`1`	`183`	`◊`	A	x,y-1,z	`1_545`	`1`	`1`	`11588`	`2.1`	`-0.3`	`0.664`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe