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Interfaces in PDB 5flp crystal.
Space symmetry group: P 1 21 1. Resolution: 1.71 Å

NATIVE STATE MASS SPECTROMETRY, SURFACE PLASMON RESONANCE AND X-RAY CRYSTALLOGRAPHY CORRELATE STRONGLY AS A FRAGMENT SCREENING COMBINATION

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	`47`	`16`	`11671`	`x`	A	x-1,y,z	`1_455`	`42`	`9`	`11671`	`389.6`	`-1.0`	`0.542`	`4`	`4`	`0`	`0.000`
`2`		A	`36`	`12`	`11671`	`x`	A	-x,y-1/2,-z+1	`2_546`	`42`	`16`	`11671`	`352.8`	`1.9`	`0.770`	`3`	`0`	`0`	`0.000`
`3`		A	`37`	`10`	`11671`	`x`	A	x,y-1,z	`1_545`	`30`	`10`	`11671`	`302.1`	`1.4`	`0.725`	`3`	`0`	`0`	`0.000`
`4`		A	`32`	`9`	`11671`	`x`	A	-x-1,y-1/2,-z	`2_445`	`30`	`10`	`11671`	`300.0`	`1.0`	`0.665`	`5`	`1`	`0`	`0.000`
`5`		A	`25`	`9`	`11671`	`x`	A	-x,y-1/2,-z	`2_545`	`30`	`10`	`11671`	`230.8`	`-1.6`	`0.272`	`2`	`0`	`0`	`0.000`
`6`		[6J5]A:1264	`14`	`1`	`373`	`f`	A	x,y,z	`1_555`	`30`	`16`	`11671`	`229.1`	`-3.9`	`0.245`	`2`	`0`	`0`	`0.010`
`7`		[6J5]A:1265	`14`	`1`	`370`	`f`	A	x,y,z	`1_555`	`17`	`8`	`11671`	`157.4`	`-4.9`	`0.131`	`0`	`0`	`0`	`0.010`
`8`		[DMS]A:1263	`4`	`1`	`204`	`f`	A	x,y,z	`1_555`	`17`	`6`	`11671`	`113.4`	`2.4`	`0.449`	`0`	`0`	`0`	`0.000`
`9`		[6J5]A:1265	`3`	`1`	`370`	`f`	[6J5]A:1264	x,y,z	`1_555`	`6`	`1`	`373`	`41.6`	`-1.3`	`0.291`	`0`	`0`	`0`	`0.003`
`10`		[ZN]A:1262	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`6`	`4`	`11671`	`37.5`	`-26.8`	`0.000`	`0`	`0`	`0`	`0.057`
`11`		[6J5]A:1264	`2`	`1`	`373`	`f`	[ZN]A:1262	x,y,z	`1_555`	`1`	`1`	`98`	`30.6`	`-11.9`	`0.000`	`0`	`0`	`0`	`0.025`

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

Protein Data Bank
in Europe