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Session Map (id=343-5P-EGM)

Interfaces in PDB 2iu3 crystal.
Space symmetry group: C 1 2 1. Resolution: 2.90 Å

CRYSTAL STRUCTURES OF TRANSITION STATE ANALOGUE INHIBITORS OF INOSINE MONOPHOSPHATE CYCLOHYDROLASE

Interfaces

##			Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
Id	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	`1`		B	`610`	`150`	`27910`	`◊`	A	x,y,z	`1_555`	`609`	`150`	`27531`	`5828.3`	`-57.3`	`0.123`	`74`	`9`	`0`	`0.293`
2	`2`		A	`44`	`16`	`27531`	`◊`	B	x,y-1,z	`1_545`	`47`	`15`	`27910`	`395.8`	`-2.8`	`0.480`	`0`	`1`	`0`	`0.000`
3	`3`		B	`38`	`13`	`27910`	`◊`	A	x,y,z-1	`1_554`	`47`	`14`	`27531`	`358.6`	`-0.5`	`0.698`	`4`	`2`	`0`	`0.000`
4	`4`		B	`44`	`11`	`27910`	`◊`	B	-x+1,y,-z+1	`2_656`	`44`	`11`	`27910`	`351.1`	`-1.3`	`0.662`	`4`	`6`	`0`	`0.000`
5	`5`		A	`22`	`8`	`27531`	`x`	A	x,y-1,z	`1_545`	`20`	`7`	`27531`	`165.7`	`-0.9`	`0.602`	`1`	`0`	`0`	`0.000`
6	`6`		[203]B:1595	`12`	`1`	`308`	`f`	B	x,y,z	`1_555`	`22`	`10`	`27910`	`164.8`	`-2.0`	`0.638`	`4`	`0`	`0`	`0.012`
7	`7`		A	`18`	`8`	`27531`	`◊`	B	-x+1/2,y-1/2,-z+1	`4_546`	`18`	`8`	`27910`	`164.6`	`-0.9`	`0.557`	`2`	`0`	`0`	`0.000`
8	`8`		[K]B:1594	`1`	`1`	`216`	`f`	B	x,y,z	`1_555`	`9`	`7`	`27910`	`110.1`	`-108.4`	`0.000`	`0`	`0`	`0`	`0.695`
	`9`		[K]A:1594	`1`	`1`	`216`	`f`	A	x,y,z	`1_555`	`10`	`7`	`27531`	`109.9`	`-108.4`	`0.000`	`0`	`0`	`0`	`0.695`
	*Average:*													`110.0`	`-108.4`	`0.000`	`0`	`0`	`0`	`0.695`
9	`10`		B	`8`	`5`	`27910`	`x`	B	x,y-1,z	`1_545`	`7`	`3`	`27910`	`61.4`	`-1.8`	`0.190`	`0`	`0`	`0`	`0.000`
10	`11`		A	`2`	`1`	`27531`	`◊`	B	x,y-1,z+1	`1_546`	`4`	`1`	`27910`	`20.4`	`0.1`	`0.671`	`0`	`0`	`0`	`0.000`
11	`12`		A	`1`	`1`	`27531`	`x`	A	x,y,z-1	`1_554`	`1`	`1`	`27531`	`3.8`	`0.3`	`0.866`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe