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Interfaces in PDB 4jt9 crystal.
Space symmetry group: P 65. Resolution: 2.24 Å

CRYSTAL STRUCTURE OF HUMAN SIRT3 WITH ELT INHIBITOR 3 [14-(4-{2- [(METHYLSULFONYL)AMINO]ETHYL}PIPERIDIN-1-YL)THIENO[3,2-D]PYRIMIDINE- 6-CARBOXAMIDE]

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`		[1NS]A:402	`24`	`1`	`557`	`f`	A	x,y,z	`1_555`	`68`	`20`	`12870`	`366.5`	`-10.3`	`0.537`	`4`	`0`	`0`	`0.049`
`2`		A	`31`	`8`	`12870`	`x`	A	x-y,x,z+5/6	`2_555`	`33`	`8`	`12870`	`305.0`	`2.2`	`0.867`	`5`	`6`	`0`	`0.000`
`3`		A	`33`	`7`	`12870`	`x`	A	-x+1,-y+1,z-1/2	`4_664`	`33`	`10`	`12870`	`288.4`	`-5.5`	`0.160`	`2`	`0`	`0`	`0.000`
`4`		A	`24`	`6`	`12870`	`x`	A	x,y,z-1	`1_554`	`34`	`9`	`12870`	`240.2`	`-0.5`	`0.627`	`2`	`0`	`0`	`0.000`
`5`		[GOL]A:404	`6`	`1`	`219`	`f`	A	x,y,z	`1_555`	`22`	`9`	`12870`	`125.1`	`-0.0`	`0.632`	`5`	`0`	`0`	`0.009`
`6`		[GOL]A:403	`6`	`1`	`218`	`f`	A	x,y,z	`1_555`	`16`	`7`	`12870`	`106.2`	`0.1`	`0.636`	`4`	`0`	`0`	`0.007`
`7`		[GOL]A:404	`5`	`1`	`219`	`f`	[1NS]A:402	x,y,z	`1_555`	`13`	`1`	`557`	`56.8`	`-0.9`	`0.637`	`0`	`0`	`0`	`0.004`
`8`		[NA]A:405	`1`	`1`	`125`	`f`	A	x,y,z	`1_555`	`7`	`2`	`12870`	`45.5`	`-5.6`	`0.000`	`0`	`0`	`0`	`0.022`
`9`		[NA]A:405	`1`	`1`	`125`	`◊`	A	-x+1,-y+1,z-1/2	`4_664`	`4`	`2`	`12870`	`40.4`	`-4.4`	`0.000`	`0`	`0`	`0`	`0.000`
`10`		[GOL]A:403	`5`	`1`	`218`	`f`	[1NS]A:402	x,y,z	`1_555`	`4`	`1`	`557`	`35.1`	`-2.2`	`0.402`	`0`	`0`	`0`	`0.009`

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

Protein Data Bank
in Europe