PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=581-92-LLL)

Interfaces in PDB 2cib crystal.
Space symmetry group: P 21 21 21. Resolution: 1.50 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	`67`	`20`	`18345`	`x`	A	x-1/2,-y-1/2,-z+1	`4_446`	`70`	`19`	`18345`	`610.7`	`6.1`	`0.805`	`14`	`7`	`0`	`0.000`
`2`		[HEM]A:1449	`42`	`1`	`812`	`f`	A	x,y,z	`1_555`	`68`	`30`	`18345`	`545.8`	`-20.6`	`0.116`	`3`	`0`	`0`	`0.086`
`3`		A	`59`	`19`	`18345`	`x`	A	-x-1/2,-y,z-1/2	`2_454`	`55`	`18`	`18345`	`513.1`	`0.4`	`0.645`	`8`	`9`	`0`	`0.000`
`4`		A	`41`	`12`	`18345`	`x`	A	x-1/2,-y+1/2,-z+1	`4_456`	`60`	`15`	`18345`	`441.6`	`-4.3`	`0.145`	`3`	`0`	`0`	`0.000`
`5`		A	`47`	`15`	`18345`	`x`	A	x-1,y,z	`1_455`	`44`	`18`	`18345`	`438.2`	`-3.8`	`0.197`	`4`	`4`	`0`	`0.000`
`6`		[CM6]A:1450	`25`	`1`	`565`	`f`	A	x,y,z	`1_555`	`47`	`17`	`18345`	`346.7`	`-2.7`	`0.102`	`0`	`0`	`0`	`0.011`
`7`		[CM6]A:1450	`9`	`1`	`565`	`f`	[HEM]A:1449	x,y,z	`1_555`	`30`	`1`	`812`	`122.0`	`-0.9`	`0.859`	`0`	`0`	`0`	`0.003`
`8`		A	`1`	`1`	`18345`	`x`	A	-x,y-1/2,-z+3/2	`3_546`	`1`	`1`	`18345`	`3.2`	`0.1`	`0.769`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe