PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=936-D3-JOK)

Interfaces in PDB 1e26 crystal.
Space symmetry group: P 1 21 1. Resolution: 2.00 Å

DESIGN, SYNTHESIS AND X-RAY CRYSTAL STRUCTURE OF A POTENT DUAL INHIBITOR OF THYMIDYLATE SYNTHASE AND DIHYDROFOLATE REDUCTASE AS AN ANTITUMOR AGENT.

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`		[NAP]A:207	`48`	`1`	`908`	`f`	A	x,y,z	`1_555`	`87`	`30`	`11545`	`638.0`	`-5.3`	`0.373`	`20`	`0`	`0`	`0.096`
`2`		[GPB]A:208	`31`	`1`	`667`	`f`	A	x,y,z	`1_555`	`66`	`24`	`11545`	`476.6`	`1.1`	`0.230`	`7`	`0`	`0`	`0.014`
`3`		A	`54`	`16`	`11545`	`x`	A	x,y-1,z	`1_545`	`42`	`11`	`11545`	`450.7`	`-2.2`	`0.450`	`2`	`2`	`0`	`0.000`
`4`		A	`49`	`17`	`11545`	`x`	A	-x,y-1/2,-z	`2_545`	`37`	`7`	`11545`	`400.7`	`-4.0`	`0.122`	`3`	`2`	`0`	`0.000`
`5`		A	`33`	`9`	`11545`	`x`	A	-x,y-1/2,-z+1	`2_546`	`39`	`12`	`11545`	`373.1`	`0.3`	`0.644`	`4`	`2`	`0`	`0.000`
`6`		A	`40`	`15`	`11545`	`x`	A	x-1,y,z	`1_455`	`34`	`10`	`11545`	`290.7`	`2.2`	`0.791`	`5`	`6`	`0`	`0.000`
`7`		A	`18`	`6`	`11545`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`21`	`6`	`11545`	`191.5`	`1.9`	`0.777`	`2`	`0`	`0`	`0.000`
`8`		[GPB]A:208	`12`	`1`	`667`	`f`	[NAP]A:207	x,y,z	`1_555`	`10`	`1`	`908`	`64.8`	`1.4`	`0.441`	`0`	`0`	`0`	`0.000`
`9`		A	`10`	`4`	`11545`	`x`	A	-x+1,y-1/2,-z	`2_645`	`5`	`2`	`11545`	`51.9`	`0.8`	`0.760`	`1`	`0`	`0`	`0.000`
`10`		A	`2`	`1`	`11545`	`◊`	[NAP]A:207	-x+1,y-1/2,-z+1	`2_646`	`2`	`1`	`908`	`14.2`	`-0.1`	`0.530`	`0`	`0`	`0`	`0.000`
`11`		A	`1`	`1`	`11545`	`x`	A	x-1,y+1,z	`1_465`	`1`	`1`	`11545`	`1.2`	`0.0`	`0.590`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe