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Session Map (id=614-44-5I9)

Interfaces in PDB 4q8y crystal.
Space symmetry group: P 1 21 1. Resolution: 1.45 Å

CRYSTAL STRUCTURE OF 2-HYDROXYISOQUINOLINE-1(2H)-THIONE BOUND TO HUMAN CARBONIC ANHYDRASE II

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	`42`	`13`	`11660`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`45`	`16`	`11660`	`387.6`	`1.6`	`0.749`	`2`	`0`	`0`	`0.000`
`2`		A	`47`	`17`	`11660`	`x`	A	x-1,y,z	`1_455`	`41`	`9`	`11660`	`385.1`	`0.2`	`0.637`	`4`	`3`	`0`	`0.000`
`3`		A	`37`	`11`	`11660`	`x`	A	-x,y-1/2,-z	`2_545`	`31`	`10`	`11660`	`321.5`	`-0.2`	`0.560`	`2`	`1`	`0`	`0.000`
`4`		A	`37`	`11`	`11660`	`x`	A	x,y-1,z	`1_545`	`33`	`11`	`11660`	`290.1`	`-0.2`	`0.594`	`2`	`0`	`0`	`0.000`
`5`		A	`32`	`10`	`11660`	`x`	A	-x+1,y-1/2,-z	`2_645`	`38`	`15`	`11660`	`287.4`	`-1.3`	`0.407`	`5`	`1`	`0`	`0.000`
`6`		[HQT]A:303	`12`	`1`	`323`	`f`	A	x,y,z	`1_555`	`33`	`15`	`11660`	`210.5`	`2.1`	`0.267`	`4`	`0`	`0`	`0.000`
`7`		[MBO]A:302	`9`	`1`	`304`	`f`	A	x,y,z	`1_555`	`19`	`7`	`11660`	`119.5`	`-5.2`	`0.440`	`0`	`0`	`0`	`0.012`
`8`		A	`8`	`2`	`11660`	`◊`	[MBO]A:302	-x+1,y-1/2,-z+1	`2_646`	`7`	`1`	`304`	`54.2`	`-0.8`	`0.488`	`0`	`0`	`0`	`0.000`
`9`		[ZN]A:301	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`9`	`5`	`11660`	`35.5`	`-24.6`	`0.000`	`0`	`0`	`0`	`0.056`
`10`		[HQT]A:303	`4`	`1`	`323`	`f`	[ZN]A:301	x,y,z	`1_555`	`1`	`1`	`98`	`31.9`	`-14.8`	`0.000`	`0`	`0`	`0`	`0.033`

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

Protein Data Bank
in Europe