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Session Map (id=225-E7-62I)

Interfaces in PDB 166d crystal.
Space symmetry group: P 21 21 21. Resolution: 2.20 Å

DRUG-DNA MINOR GROOVE RECOGNITION: CRYSTAL STRUCTURE OF GAMMA-OXAPENTAMIDINE COMPLEXED WITH D(CGCGAATTCGCG)2

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`		B	`60`	`12`	`2824`	`◊`	A	x,y,z	`1_555`	`54`	`12`	`2834`	`573.0`	`-5.6`	`0.643`	`30`	`0`	`0`	`1.000`
`2`		[PET]B:25	`25`	`1`	`619`	`◊`	A	x,y,z	`1_555`	`36`	`7`	`2834`	`243.4`	`5.7`	`0.257`	`1`	`0`	`0`	`0.000`
`3`		[PET]B:25	`25`	`1`	`619`	`f`	B	x,y,z	`1_555`	`36`	`7`	`2824`	`241.5`	`4.5`	`0.238`	`1`	`0`	`0`	`0.000`
`4`		B	`25`	`4`	`2824`	`x`	B	-x+3/2,-y+1,z-1/2	`2_664`	`21`	`2`	`2824`	`184.7`	`3.4`	`0.845`	`2`	`0`	`0`	`0.000`
`5`		B	`26`	`3`	`2824`	`◊`	A	-x+3/2,-y+1,z-1/2	`2_664`	`29`	`3`	`2834`	`180.4`	`1.8`	`0.797`	`0`	`0`	`0`	`0.000`
`6`		A	`18`	`3`	`2834`	`◊`	B	-x+3/2,-y+1,z-1/2	`2_664`	`17`	`3`	`2824`	`160.6`	`1.1`	`0.735`	`2`	`0`	`0`	`0.000`
`7`		A	`17`	`2`	`2834`	`x`	A	-x+3/2,-y+1,z-1/2	`2_664`	`21`	`4`	`2834`	`146.2`	`3.1`	`0.846`	`0`	`0`	`0`	`0.000`
`8`		A	`10`	`2`	`2834`	`x`	A	-x+1,y-1/2,-z+1/2	`3_645`	`7`	`2`	`2834`	`71.8`	`-1.5`	`0.447`	`0`	`0`	`0`	`0.000`
`9`		B	`2`	`1`	`2824`	`x`	B	-x+1/2,-y+1,z-1/2	`2_564`	`3`	`1`	`2824`	`27.8`	`-0.5`	`0.454`	`0`	`0`	`0`	`0.000`
`10`		A	`1`	`1`	`2834`	`◊`	B	x-1/2,-y+3/2,-z	`4_465`	`1`	`1`	`2824`	`10.2`	`-1.1`	`0.177`	`0`	`0`	`0`	`0.000`
`11`		B	`1`	`1`	`2824`	`◊`	A	x-1/2,-y+3/2,-z	`4_465`	`1`	`1`	`2834`	`3.0`	`-0.3`	`0.209`	`0`	`0`	`0`	`0.000`
`12`		A	`1`	`1`	`2834`	`◊`	B	-x+1/2,-y+1,z-1/2	`2_564`	`1`	`1`	`2824`	`0.2`	`-0.0`	`0.326`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe