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Interfaces in PDB 1j4i crystal.
Space symmetry group: P 1 21 1. Resolution: 1.80 Å

CRYSTAL STRUCTURE ANALYSIS OF THE FKBP12 COMPLEXED WITH 000308 SMALL MOLECULE

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	`38`	`12`	`6019`	`x`	A	-x+1,y-1/2,-z-2	`2_643`	`42`	`15`	`6019`	`321.2`	`1.4`	`0.681`	`3`	`2`	`0`	`0.000`
`2`		[TST]A:201	`24`	`1`	`538`	`f`	A	x,y,z	`1_555`	`49`	`14`	`6019`	`297.4`	`-2.4`	`0.352`	`3`	`0`	`0`	`0.100`
`3`		A	`32`	`12`	`6019`	`x`	A	x,y-1,z	`1_545`	`31`	`9`	`6019`	`266.6`	`0.3`	`0.616`	`2`	`0`	`0`	`0.000`
`4`		A	`27`	`9`	`6019`	`x`	A	-x,y-1/2,-z-3	`2_542`	`31`	`8`	`6019`	`261.6`	`-1.7`	`0.393`	`3`	`0`	`0`	`0.000`
`5`		A	`16`	`5`	`6019`	`x`	A	-x+1,y-1/2,-z-3	`2_642`	`19`	`8`	`6019`	`156.2`	`0.4`	`0.597`	`0`	`0`	`0`	`0.000`
`6`		A	`21`	`6`	`6019`	`◊`	[TST]A:201	-x+1,y-1/2,-z-2	`2_643`	`10`	`1`	`538`	`147.7`	`0.5`	`0.475`	`1`	`0`	`0`	`0.000`
`7`		A	`17`	`6`	`6019`	`x`	A	-x,y-1/2,-z-2	`2_543`	`19`	`7`	`6019`	`146.1`	`-2.5`	`0.249`	`0`	`0`	`0`	`0.000`
`8`		A	`2`	`1`	`6019`	`x`	A	x,y,z-1	`1_554`	`2`	`1`	`6019`	`21.3`	`-0.3`	`0.375`	`0`	`0`	`0`	`0.000`
`9`		[TST]A:201	`3`	`1`	`538`	`◊`	A	-x+1,y-1/2,-z-2	`2_643`	`3`	`1`	`6019`	`15.8`	`-0.0`	`0.479`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe