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PISA Interface List.

Session Map (id=341-IN-2P5)

Interfaces in PDB 7amd crystal.
Space symmetry group: P 21 21 21. Resolution: 2.25 Å

IN SITU ASSEMBLY OF CHOLINE ACETYLTRANSFERASE LIGANDS BY A HYDROTHIOLATION REACTION REVEALS KEY DETERMINANTS FOR INHIBITOR DESIGN

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`		[RMW]A:701	`64`	`1`	`1317`	`f`	A	x,y,z	`1_555`	`118`	`43`	`23148`	`902.5`	`-18.0`	`0.463`	`12`	`0`	`0`	`0.050`
`2`		A	`53`	`17`	`23148`	`x`	A	-x,y-1/2,-z+1/2	`3_545`	`54`	`20`	`23148`	`460.6`	`-6.2`	`0.292`	`2`	`0`	`0`	`0.000`
`3`		A	`39`	`11`	`23148`	`x`	A	x-1/2,-y+1/2,-z+1	`4_456`	`40`	`13`	`23148`	`374.1`	`-3.5`	`0.443`	`3`	`0`	`0`	`0.000`
`4`		A	`13`	`7`	`23148`	`x`	A	x-1,y,z	`1_455`	`18`	`4`	`23148`	`161.3`	`-2.0`	`0.264`	`0`	`0`	`0`	`0.000`
`5`		A	`11`	`3`	`23148`	`x`	A	x-1/2,-y-1/2,-z+1	`4_446`	`13`	`5`	`23148`	`97.8`	`-1.9`	`0.309`	`0`	`0`	`0`	`0.000`
`6`		[NA]A:702	`1`	`1`	`125`	`f`	A	x,y,z	`1_555`	`16`	`9`	`23148`	`74.4`	`-11.8`	`0.000`	`0`	`0`	`0`	`0.025`
`7`		[NA]A:703	`1`	`1`	`125`	`f`	A	x,y,z	`1_555`	`10`	`6`	`23148`	`67.7`	`-11.8`	`0.000`	`0`	`0`	`0`	`0.025`
`8`		A	`3`	`2`	`23148`	`◊`	[RMW]A:701	x-1,y,z	`1_455`	`2`	`1`	`1317`	`13.1`	`-0.4`	`0.449`	`0`	`0`	`0`	`0.000`
`9`		[NA]A:703	`1`	`1`	`125`	`◊`	A	x-1/2,-y+1/2,-z+1	`4_456`	`1`	`1`	`23148`	`3.9`	`-0.4`	`0.000`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe