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Session Map (id=462-05-424)

Interfaces in PDB 1nxy crystal.
Space symmetry group: P 21 21 21. Resolution: 1.60 Å

CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN M182T MUTANT OF TEM-1 AND A BORONIC ACID INHIBITOR (SM2)

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	`68`	`22`	`10876`	`x`	A	x,y-1,z	`1_545`	`58`	`18`	`10876`	`570.0`	`-4.0`	`0.284`	`3`	`2`	`0`	`0.000`
`2`		A	`41`	`16`	`10876`	`x`	A	-x,y-1/2,-z+1/2	`3_545`	`50`	`17`	`10876`	`412.0`	`-3.0`	`0.278`	`1`	`0`	`0`	`0.000`
`3`		[SM2]A:500	`22`	`1`	`506`	`cf`	A	x,y,z	`1_555`	`53`	`18`	`10876`	`320.5`	`-3.8`	`0.580`	`6`	`0`	`0`	`0.074`
`4`		A	`27`	`7`	`10876`	`x`	A	-x+1/2,-y,z-1/2	`2_554`	`33`	`10`	`10876`	`273.6`	`-0.2`	`0.559`	`5`	`1`	`0`	`0.000`
`5`		A	`25`	`8`	`10876`	`◊`	[SM2]A:501	-x+1,y-1/2,-z+1/2	`3_645`	`15`	`1`	`504`	`158.3`	`-0.4`	`0.733`	`2`	`0`	`0`	`0.000`
`6`		[SM2]A:501	`15`	`1`	`504`	`f`	A	x,y,z	`1_555`	`21`	`5`	`10876`	`156.0`	`-2.3`	`0.611`	`0`	`0`	`0`	`0.026`
`7`		A	`5`	`2`	`10876`	`◊`	[SM2]A:500	x,y-1,z	`1_545`	`6`	`1`	`506`	`38.7`	`-1.2`	`0.429`	`0`	`0`	`0`	`0.000`
`8`		A	`4`	`1`	`10876`	`x`	A	-x+1,y-1/2,-z+1/2	`3_645`	`4`	`2`	`10876`	`31.3`	`0.8`	`0.807`	`1`	`1`	`0`	`0.000`

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

Protein Data Bank
in Europe