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Interfaces in PDB 5fqj crystal.
Space symmetry group: P 21 21 2. Resolution: 2.27 Å

W229D MUTANT OF THE LAST COMMON ANCESTOR OF GRAM-NEGATIVE BACTERIA (GNCA) BETA-LACTAMASE CLASS A, BOUND TO 5(6)-NITROBENZOTRIAZOLE (TS-ANALOG)

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	`65`	`19`	`10941`	`x`	A	x-1/2,-y+1/2,-z-1	`4_454`	`74`	`20`	`10941`	`563.1`	`-2.4`	`0.376`	`2`	`3`	`0`	`0.000`
`2`		A	`69`	`21`	`10941`	`◊`	A	-x-1,-y,z	`2_455`	`69`	`21`	`10941`	`549.5`	`1.1`	`0.657`	`6`	`2`	`0`	`0.000`
`3`		A	`25`	`6`	`10941`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`27`	`7`	`10941`	`249.6`	`0.4`	`0.615`	`2`	`2`	`0`	`0.000`
`4`		A	`29`	`12`	`10941`	`◊`	A	-x,-y,z	`2_555`	`31`	`13`	`10941`	`237.9`	`-2.3`	`0.289`	`0`	`0`	`0`	`0.000`
`5`		A	`26`	`7`	`10941`	`x`	A	x-1,y,z	`1_455`	`31`	`10`	`10941`	`234.0`	`-0.7`	`0.478`	`1`	`2`	`0`	`0.000`
`6`		[6NT]A:1295	`12`	`1`	`303`	`f`	A	x,y,z	`1_555`	`28`	`13`	`10941`	`200.1`	`0.7`	`0.358`	`2`	`0`	`0`	`0.100`
`7`		A	`3`	`1`	`10941`	`◊`	A	-x,-y+1,z	`2_565`	`3`	`1`	`10941`	`35.7`	`0.2`	`0.705`	`0`	`0`	`0`	`0.000`
`8`		[6NT]A:1295	`2`	`1`	`303`	`◊`	A	x-1,y,z	`1_455`	`3`	`1`	`10941`	`12.5`	`-0.1`	`0.326`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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