PDBe < PISA < EMBL-EBI

PISA Interface List.

Interfaces in PDB 4hej crystal.
Space symmetry group: P 1 21 1. Resolution: 2.00 Å

DISCOVERY OF SELECTIVE AND POTENT INHIBITORS OF GRAM-POSITIVE BACTERIAL THYMIDYLATE KINASE (TMK): COMPUND 16

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`		B	`108`	`28`	`10182`	`◊`	A	x,y,z	`1_555`	`102`	`27`	`10219`	`992.4`	`-18.4`	`0.009`	`8`	`8`	`0`	`0.989`
`2`		A	`52`	`13`	`10219`	`◊`	B	-x+1,y-1/2,-z	`2_645`	`60`	`20`	`10182`	`516.8`	`-1.5`	`0.523`	`7`	`3`	`0`	`0.000`
`3`		A	`54`	`17`	`10219`	`◊`	B	x-1,y,z+1	`1_456`	`52`	`15`	`10182`	`509.9`	`-6.6`	`0.136`	`5`	`7`	`0`	`0.000`
`4`		[14D]A:301	`33`	`1`	`639`	`◊`	A	x,y,z	`1_555`	`50`	`16`	`10219`	`390.1`	`7.3`	`0.380`	`5`	`0`	`0`	`0.000`
`5`		B	`29`	`10`	`10182`	`◊`	A	x,y,z-1	`1_554`	`22`	`8`	`10219`	`236.4`	`2.7`	`0.816`	`3`	`2`	`0`	`0.000`
`6`		A	`26`	`9`	`10219`	`◊`	B	x-1,y,z	`1_455`	`23`	`7`	`10182`	`208.1`	`0.2`	`0.646`	`3`	`1`	`0`	`0.000`
`7`		A	`8`	`2`	`10219`	`x`	A	-x,y-1/2,-z	`2_545`	`16`	`4`	`10219`	`88.4`	`-0.7`	`0.489`	`0`	`0`	`0`	`0.000`
`8`		B	`10`	`6`	`10182`	`x`	B	-x+1,y-1/2,-z-1	`2_644`	`8`	`4`	`10182`	`57.8`	`1.1`	`0.790`	`0`	`0`	`0`	`0.000`
`9`		B	`7`	`1`	`10182`	`f`	[14D]A:301	x,y,z-1	`1_554`	`3`	`1`	`639`	`42.8`	`-0.3`	`0.147`	`0`	`0`	`0`	`0.100`
`10`		A	`3`	`2`	`10219`	`◊`	B	-x+1,y-1/2,-z-1	`2_644`	`7`	`3`	`10182`	`22.7`	`-0.0`	`0.612`	`0`	`0`	`0`	`0.000`
`11`		A	`1`	`1`	`10219`	`x`	A	-x+1,y-1/2,-z	`2_645`	`1`	`1`	`10219`	`3.6`	`0.1`	`0.749`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe