PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=324-53-2O2)

Interfaces in PDB 3b92 crystal.
Space symmetry group: P 42 21 2. Resolution: 2.00 Å

NOVEL THIO-BASED TACE INHIBITORS PART 2: RATIONAL DESIGN, SYNTHESIS AND SAR OF THIOL-CONTANING ARYL SUFONES

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	`67`	`20`	`12380`	`◊`	A	-x,-y+2,z	`2_575`	`66`	`20`	`12380`	`667.2`	`7.2`	`0.965`	`12`	`12`	`0`	`0.000`
`2`		A	`46`	`13`	`12380`	`x`	A	x-1/2,-y+3/2,-z+3/2	`6_466`	`65`	`17`	`12380`	`492.5`	`-0.9`	`0.594`	`5`	`1`	`0`	`0.000`
`3`		A	`48`	`14`	`12380`	`◊`	A	-y+1,-x+1,-z+2	`8_667`	`48`	`14`	`12380`	`433.8`	`-4.4`	`0.285`	`0`	`0`	`0`	`0.000`
`4`		[440]A:501	`18`	`1`	`489`	`f`	A	x,y,z	`1_555`	`50`	`18`	`12380`	`334.7`	`3.2`	`0.401`	`4`	`0`	`0`	`0.000`
`5`		A	`25`	`7`	`12380`	`x`	A	-x+1/2,y-1/2,-z+3/2	`5_546`	`30`	`12`	`12380`	`301.7`	`-0.8`	`0.502`	`7`	`3`	`0`	`0.000`
`6`		[ZN]A:503	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`8`	`5`	`12380`	`50.3`	`-38.7`	`0.000`	`0`	`0`	`0`	`0.050`
`7`		A	`3`	`1`	`12380`	`◊`	A	y-1,x+1,-z+2	`7_467`	`3`	`1`	`12380`	`48.2`	`1.1`	`0.901`	`0`	`0`	`0`	`0.000`
`8`		[ZN]A:502	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`6`	`4`	`12380`	`36.5`	`-25.4`	`0.000`	`0`	`0`	`0`	`0.033`
`9`		[440]A:501	`4`	`1`	`489`	`f`	[ZN]A:502	x,y,z	`1_555`	`1`	`1`	`98`	`32.0`	`-15.1`	`0.000`	`0`	`0`	`0`	`0.019`

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

Protein Data Bank
in Europe