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Session Map (id=142-4N-24D)

Interfaces in PDB 5ee8 crystal.
Space symmetry group: P 21 21 21. Resolution: 1.54 Å

CRYSTAL STRUCTURE OF S02030 BORONIC ACID INHIBITOR COMPLEXED TO SHV-1 BETA-LACTAMASE

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	`74`	`19`	`11061`	`x`	A	x-1/2,-y-1/2,-z	`4_445`	`65`	`19`	`11061`	`649.5`	`2.3`	`0.773`	`8`	`4`	`0`	`0.000`
`2`		[MA4]A:302	`28`	`1`	`741`	`f`	A	x,y,z	`1_555`	`46`	`19`	`11061`	`378.1`	`-6.4`	`0.121`	`1`	`0`	`0`	`0.051`
`3`		A	`43`	`12`	`11061`	`x`	A	-x+1,y-1/2,-z+1/2	`3_645`	`48`	`13`	`11061`	`376.5`	`1.5`	`0.732`	`6`	`1`	`0`	`0.000`
`4`		[MA4]A:303	`27`	`1`	`746`	`◊`	A	x,y,z	`1_555`	`48`	`17`	`11061`	`361.4`	`-6.0`	`0.159`	`2`	`0`	`0`	`0.000`
`5`		A	`35`	`10`	`11061`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`32`	`12`	`11061`	`305.7`	`-0.4`	`0.545`	`4`	`0`	`0`	`0.000`
`6`		[ZXM]A:301	`22`	`1`	`509`	`cf`	A	x,y,z	`1_555`	`43`	`18`	`11061`	`302.8`	`-4.5`	`0.622`	`7`	`0`	`0`	`0.057`
`7`		A	`20`	`6`	`11061`	`x`	A	-x,y-1/2,-z+1/2	`3_545`	`18`	`8`	`11061`	`173.7`	`1.6`	`0.719`	`2`	`0`	`0`	`0.000`
`8`		A	`16`	`6`	`11061`	`◊`	[MA4]A:302	x-1,y,z	`1_455`	`12`	`1`	`741`	`138.9`	`2.4`	`0.869`	`4`	`0`	`0`	`0.000`
`9`		[MA4]A:303	`19`	`1`	`746`	`◊`	[MA4]A:302	x,y,z	`1_555`	`16`	`1`	`741`	`135.2`	`-0.2`	`0.647`	`1`	`0`	`0`	`0.000`
`10`		A	`13`	`6`	`11061`	`cf`	[MA4]A:303	x-1,y,z	`1_455`	`8`	`1`	`746`	`117.0`	`1.5`	`0.780`	`1`	`0`	`0`	`0.000`
`11`		A	`15`	`6`	`11061`	`x`	A	x-1,y,z	`1_455`	`18`	`7`	`11061`	`116.7`	`-0.1`	`0.580`	`0`	`0`	`0`	`0.000`
`12`		A	`1`	`1`	`11061`	`x`	A	-x+1/2,-y,z-1/2	`2_554`	`1`	`1`	`11061`	`11.9`	`0.6`	`0.911`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
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