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Session Map (id=176-6F-4O0)

Interfaces in PDB 1b9v crystal.
Space symmetry group: P 4 21 2. Resolution: 2.35 Å

NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN TEH ACTIVE SITE

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	`181`	`52`	`15358`	`x`	A	-y+1/2,x-1/2,z	`3_545`	`190`	`52`	`15358`	`1876.9`	`-20.8`	`0.056`	`21`	`3`	`0`	`0.790`
`2`		A	`41`	`15`	`15358`	`◊`	A	-y,-x,-z+2	`8_557`	`42`	`15`	`15358`	`404.0`	`-1.0`	`0.616`	`12`	`0`	`0`	`0.000`
`3`		[RA2]A:468	`22`	`1`	`529`	`f`	A	x,y,z	`1_555`	`47`	`20`	`15358`	`361.8`	`3.7`	`0.557`	`5`	`0`	`0`	`0.000`
`4`		[NAG]A:467	`13`	`1`	`361`	`f`	A	x,y,z	`1_555`	`27`	`7`	`15358`	`163.6`	`3.8`	`0.373`	`1`	`0`	`0`	`0.000`
`5`		[CA]A:500	`1`	`1`	`85`	`f`	A	x,y,z	`1_555`	`11`	`10`	`15358`	`45.2`	`-12.9`	`0.000`	`0`	`0`	`0`	`0.334`
`6`		[CA]A:501	`1`	`1`	`85`	`fx`	[CA]A:501	-y+1/2,x-1/2,z	`3_545`	`1`	`1`	`85`	`28.0`	`-8.4`	`0.000`	`0`	`0`	`0`	`0.219`
`7`		A	`4`	`2`	`15358`	`◊`	A	-y,-x,-z+1	`8_556`	`4`	`2`	`15358`	`10.5`	`-0.0`	`0.606`	`0`	`0`	`0`	`0.000`
`8`		[CA]A:501	`1`	`1`	`85`	`x`	A	x,y,z	`1_555`	`4`	`1`	`15358`	`9.6`	`-1.5`	`0.000`	`0`	`0`	`0`	`0.107`

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

Protein Data Bank
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