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Interfaces in PDB 4bub crystal.
Space symmetry group: P 61. Resolution: 2.90 Å

CRYSTAL STRUCTURE OF MURE LIGASE FROM THERMOTOGA MARITIMA IN COMPLEX WITH ADP

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	`144`	`36`	`22225`	`◊`	A	x-y,x-1,z+1/6	`6_545`	`145`	`34`	`21979`	`1206.9`	`-0.2`	`0.500`	`15`	`9`	`0`	`0.000`
2	`2`		B	`70`	`23`	`22225`	`◊`	A	x,y,z	`1_555`	`61`	`23`	`21979`	`556.2`	`3.3`	`0.743`	`1`	`0`	`0`	`0.000`
3	`3`		A	`55`	`18`	`21979`	`◊`	B	x-1,y,z	`1_455`	`63`	`19`	`22225`	`550.9`	`-6.8`	`0.080`	`2`	`0`	`0`	`0.000`
4	`4`		B	`42`	`12`	`22225`	`◊`	A	x-y,x,z+1/6	`6_555`	`52`	`17`	`21979`	`399.7`	`2.3`	`0.662`	`3`	`4`	`0`	`0.000`
5	`5`		[ADP]A:1486	`27`	`1`	`537`	`f`	A	x,y,z	`1_555`	`53`	`19`	`21979`	`379.6`	`-7.2`	`0.360`	`11`	`0`	`0`	`0.053`
6	`6`		[ADP]B:1486	`26`	`1`	`543`	`f`	B	x,y,z	`1_555`	`50`	`19`	`22225`	`344.5`	`-6.1`	`0.422`	`10`	`0`	`0`	`0.047`
7	`7`		A	`10`	`3`	`21979`	`x`	A	x-1,y-1,z	`1_445`	`9`	`3`	`21979`	`70.8`	`0.4`	`0.639`	`0`	`3`	`0`	`0.000`
8	`8`		[MG]A:1487	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`13`	`6`	`21979`	`46.6`	`-5.8`	`0.000`	`0`	`0`	`0`	`0.025`
9	`9`		[MG]B:1487	`1`	`1`	`98`	`f`	B	x,y,z	`1_555`	`9`	`5`	`22225`	`41.0`	`-6.5`	`0.000`	`0`	`0`	`0`	`0.029`
10	`10`		[MG]B:1487	`1`	`1`	`98`	`f`	[ADP]B:1486	x,y,z	`1_555`	`4`	`1`	`543`	`34.9`	`-5.5`	`0.000`	`0`	`0`	`0`	`0.024`
	`11`		[MG]A:1487	`1`	`1`	`98`	`f`	[ADP]A:1486	x,y,z	`1_555`	`5`	`1`	`537`	`33.8`	`-5.0`	`0.000`	`0`	`0`	`0`	`0.024`
	*Average:*													`34.3`	`-5.2`	`0.000`	`0`	`0`	`0`	`0.024`
11	`12`		B	`5`	`1`	`22225`	`◊`	A	x,y-1,z	`1_545`	`6`	`2`	`21979`	`27.2`	`-0.2`	`0.481`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe