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Interfaces in PDB 5w2r crystal.
Space symmetry group: P 6 2 2. Resolution: 2.90 Å

CRYSTAL STRUCTURE OF MUTANT CJ YCEI PROTEIN (CJ-G34C) WITH 5-MERCAPTO- 2-NITROBENZOIC ACID GUEST STRUCTURE

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	`325`	`70`	`12512`	`◊`	A	-x,-x+y,-z+1	`9_556`	`326`	`70`	`12512`	`3386.6`	`-36.1`	`0.084`	`68`	`4`	`0`	`0.708`
`2`		A	`51`	`16`	`12512`	`◊`	A	-x+y,y,-z+1	`11_556`	`51`	`16`	`12512`	`483.2`	`2.5`	`0.843`	`6`	`2`	`0`	`0.000`
`3`		A	`44`	`14`	`12512`	`◊`	A	x,x-y-1,-z+1	`12_546`	`43`	`14`	`12512`	`471.9`	`-4.9`	`0.250`	`2`	`2`	`0`	`0.041`
`4`		A	`38`	`13`	`12512`	`◊`	A	x,x-y-1,-z	`12_545`	`38`	`13`	`12512`	`344.3`	`-1.1`	`0.608`	`2`	`0`	`0`	`0.000`
`5`		A	`22`	`8`	`12512`	`◊`	A	-x,-y-1,z	`4_545`	`22`	`8`	`12512`	`234.2`	`-1.5`	`0.373`	`1`	`0`	`0`	`0.025`
`6`		[MNB]A:304	`11`	`1`	`339`	`◊`	A	-x,-x+y,-z+1	`9_556`	`22`	`7`	`12512`	`134.8`	`0.0`	`0.420`	`0`	`0`	`0`	`0.000`
`7`		[MNB]A:304	`10`	`1`	`339`	`cf`	A	x,y,z	`1_555`	`14`	`3`	`12512`	`124.7`	`-2.0`	`0.187`	`1`	`0`	`0`	`0.064`
`8`		[SO4]A:302	`4`	`1`	`187`	`f`	A	x,y,z	`1_555`	`13`	`3`	`12512`	`74.4`	`-10.5`	`0.765`	`2`	`0`	`0`	`0.302`
`9`		[SO4]A:303	`5`	`1`	`187`	`◊`	A	x,y,z	`1_555`	`9`	`4`	`12512`	`61.1`	`-8.3`	`0.738`	`1`	`0`	`0`	`0.232`
`10`		[SO4]A:303	`5`	`1`	`187`	`◊`	A	-x,-y-1,z	`4_545`	`8`	`4`	`12512`	`59.4`	`-7.8`	`0.756`	`2`	`0`	`0`	`0.229`
`11`		[SO4]A:303	`4`	`1`	`187`	`f`	[SO4]A:303	-x,-y-1,z	`4_545`	`4`	`1`	`187`	`48.2`	`-11.2`	`0.973`	`0`	`0`	`0`	`0.148`
`12`		A	`1`	`1`	`12512`	`x`	A	x-y,x,z	`6_555`	`3`	`1`	`12512`	`8.8`	`0.4`	`0.803`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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