PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=241-PJ-MG0)

Interfaces in PDB 2ci0 crystal.
Space symmetry group: P 21 21 21. Resolution: 1.53 Å

HIGH THROUGHPUT SCREENING AND X-RAY CRYSTALLOGRAPHY ASSISTED EVALUATION OF SMALL MOLECULE SCAFFOLDS FOR CYP51 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	`77`	`25`	`18430`	`x`	A	-x-1/2,-y,z-1/2	`2_454`	`69`	`22`	`18430`	`629.5`	`0.2`	`0.699`	`9`	`7`	`0`	`0.000`
`2`		[HEM]A:1449	`42`	`1`	`817`	`f`	A	x,y,z	`1_555`	`73`	`30`	`18430`	`554.7`	`-20.3`	`0.210`	`3`	`0`	`0`	`0.067`
`3`		A	`66`	`20`	`18430`	`x`	A	x-1/2,-y-1/2,-z+1	`4_446`	`60`	`17`	`18430`	`544.7`	`2.5`	`0.708`	`9`	`9`	`0`	`0.000`
`4`		A	`39`	`12`	`18430`	`x`	A	x-1/2,-y+1/2,-z+1	`4_456`	`65`	`17`	`18430`	`456.5`	`-3.9`	`0.216`	`4`	`0`	`0`	`0.000`
`5`		A	`40`	`15`	`18430`	`x`	A	x-1,y,z	`1_455`	`42`	`16`	`18430`	`391.0`	`-1.6`	`0.310`	`5`	`4`	`0`	`0.000`
`6`		[1CM]A:1450	`18`	`1`	`447`	`f`	A	x,y,z	`1_555`	`41`	`15`	`18430`	`287.7`	`-8.3`	`0.250`	`0`	`0`	`0`	`0.026`
`7`		[1CM]A:1450	`4`	`1`	`447`	`f`	[HEM]A:1449	x,y,z	`1_555`	`26`	`1`	`817`	`71.3`	`-2.5`	`0.849`	`0`	`0`	`0`	`0.008`
`8`		A	`1`	`1`	`18430`	`x`	A	-x,y-1/2,-z+3/2	`3_546`	`1`	`1`	`18430`	`2.5`	`0.1`	`0.727`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe