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

THE BINDING OF BENZOARYLSULFONAMIDE LIGANDS TO HUMAN CARBONIC ANHYDRASE IS INSENSITIVE TO FORMAL FLUORINATION OF THE LIGAND

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	`49`	`16`	`11773`	`x`	A	x-1,y,z	`1_455`	`37`	`9`	`11773`	`386.6`	`-0.9`	`0.544`	`4`	`4`	`0`	`0.000`
`2`		A	`38`	`12`	`11773`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`43`	`16`	`11773`	`359.1`	`2.1`	`0.778`	`2`	`0`	`0`	`0.000`
`3`		A	`31`	`10`	`11773`	`x`	A	-x,y-1/2,-z	`2_545`	`31`	`10`	`11773`	`323.7`	`0.9`	`0.628`	`1`	`1`	`0`	`0.000`
`4`		A	`38`	`11`	`11773`	`x`	A	x,y-1,z	`1_545`	`32`	`10`	`11773`	`304.6`	`0.6`	`0.657`	`4`	`0`	`0`	`0.000`
`5`		A	`26`	`11`	`11773`	`x`	A	-x+1,y-1/2,-z	`2_645`	`38`	`16`	`11773`	`287.1`	`-0.7`	`0.398`	`3`	`0`	`0`	`0.000`
`6`		[1QV]A:302	`17`	`1`	`399`	`f`	A	x,y,z	`1_555`	`32`	`15`	`11773`	`251.9`	`0.1`	`0.383`	`7`	`0`	`0`	`0.007`
`7`		[ZN]A:301	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`7`	`6`	`11773`	`35.1`	`-25.0`	`0.000`	`0`	`0`	`0`	`0.060`
`8`		[1QV]A:302	`4`	`1`	`399`	`f`	[ZN]A:301	x,y,z	`1_555`	`1`	`1`	`98`	`31.9`	`-13.7`	`0.000`	`0`	`0`	`0`	`0.033`

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

Protein Data Bank
in Europe