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Session Map (id=288-03-4F4)

Interfaces in PDB 1jcj crystal.
Space symmetry group: P 1 21 1. Resolution: 1.10 Å

OBSERVATION OF COVALENT INTERMEDIATES IN AN ENZYME MECHANISM AT ATOMIC RESOLUTION

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	`66`	`16`	`10405`	`◊`	A	x,y,z	`1_555`	`69`	`17`	`10426`	`589.3`	`-6.5`	`0.259`	`2`	`2`	`0`	`0.000`
2	`2`		B	`34`	`10`	`10405`	`x`	B	-x+1,y-1/2,-z+1	`2_646`	`36`	`11`	`10405`	`321.2`	`-1.3`	`0.537`	`3`	`4`	`0`	`0.000`
3	`3`		A	`35`	`11`	`10426`	`x`	A	-x+1,y-1/2,-z	`2_645`	`30`	`8`	`10426`	`267.8`	`-1.9`	`0.436`	`2`	`2`	`0`	`0.000`
4	`4`		[HPD]B:602	`12`	`1`	`348`	`cf`	B	x,y,z	`1_555`	`35`	`17`	`10405`	`233.4`	`-2.0`	`0.644`	`4`	`0`	`0`	`0.100`
	`5`		[HPD]A:601	`12`	`1`	`347`	`cf`	A	x,y,z	`1_555`	`32`	`16`	`10426`	`229.6`	`-1.6`	`0.655`	`4`	`0`	`0`	`0.100`
	*Average:*													`231.5`	`-1.8`	`0.649`	`4`	`0`	`0`	`0.100`
5	`6`		B	`16`	`7`	`10405`	`x`	B	x-1,y,z	`1_455`	`12`	`5`	`10405`	`103.7`	`-0.2`	`0.551`	`0`	`0`	`0`	`0.000`
	`7`		A	`12`	`5`	`10426`	`x`	A	x-1,y,z	`1_455`	`17`	`8`	`10426`	`94.5`	`-0.3`	`0.561`	`0`	`0`	`0`	`0.000`
	*Average:*													`99.1`	`-0.3`	`0.556`	`0`	`0`	`0`	`0.000`
6	`8`		A	`6`	`1`	`10426`	`x`	A	-x+2,y-1/2,-z	`2_745`	`4`	`1`	`10426`	`42.6`	`-0.3`	`0.529`	`1`	`1`	`0`	`0.000`
7	`9`		B	`3`	`2`	`10405`	`◊`	A	x-1,y,z	`1_455`	`3`	`2`	`10426`	`2.1`	`-0.0`	`0.606`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe