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Interfaces in PDB 3ro4 crystal.
Space symmetry group: P 21 21 21. Resolution: 2.60 Å

X-RAY STRUCTURE OF KETOHEXOKINASE IN COMPLEX WITH AN INDAZOLE COMPOUND DERIVATIVE

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	`145`	`39`	`14755`	`◊`	A	x,y,z	`1_555`	`150`	`40`	`14050`	`1559.9`	`-14.0`	`0.116`	`29`	`5`	`0`	`0.366`
`2`		A	`75`	`21`	`14050`	`◊`	B	-x,y-1/2,-z+1/2	`3_545`	`81`	`26`	`14755`	`645.1`	`-5.4`	`0.266`	`5`	`0`	`0`	`0.000`
`3`		B	`76`	`22`	`14755`	`x`	B	x-1/2,-y+1/2,-z+1	`4_456`	`70`	`18`	`14755`	`639.8`	`0.0`	`0.671`	`8`	`8`	`0`	`0.000`
`4`		[LJ9]B:301	`25`	`1`	`558`	`f`	A	x,y,z	`1_555`	`53`	`20`	`14050`	`382.6`	`-2.5`	`0.290`	`1`	`0`	`0`	`0.038`
`5`		[SO4]A:301	`5`	`1`	`186`	`f`	A	x,y,z	`1_555`	`20`	`10`	`14050`	`115.0`	`-16.0`	`0.748`	`7`	`0`	`0`	`0.253`
`6`		[SO4]B:302	`5`	`1`	`185`	`f`	B	x,y,z	`1_555`	`12`	`5`	`14755`	`113.0`	`-16.2`	`0.737`	`3`	`0`	`0`	`0.232`
`7`		A	`17`	`6`	`14050`	`◊`	B	-x-1/2,-y,z-1/2	`2_454`	`14`	`6`	`14755`	`110.3`	`1.0`	`0.739`	`0`	`0`	`0`	`0.000`
`8`		A	`8`	`2`	`14050`	`x`	A	-x,y-1/2,-z+1/2	`3_545`	`7`	`3`	`14050`	`67.5`	`0.2`	`0.526`	`1`	`0`	`0`	`0.000`
`9`		[LJ9]B:301	`5`	`1`	`558`	`◊`	B	x,y,z	`1_555`	`4`	`1`	`14755`	`43.1`	`0.1`	`0.609`	`1`	`0`	`0`	`0.004`
`10`		[SO4]B:302	`4`	`1`	`185`	`◊`	A	x,y,z	`1_555`	`3`	`1`	`14050`	`36.9`	`-2.9`	`0.973`	`2`	`0`	`0`	`0.050`
`11`		[LJ9]B:301	`5`	`1`	`558`	`f`	[SO4]A:301	x,y,z	`1_555`	`4`	`1`	`186`	`32.3`	`-4.3`	`0.634`	`0`	`0`	`0`	`0.057`
`12`		A	`1`	`1`	`14050`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`1`	`1`	`14050`	`2.9`	`-0.0`	`0.538`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe