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Interfaces in PDB 2acr crystal.
Space symmetry group: P 21 21 21. Resolution: 1.76 Å

AN ANION BINDING SITE IN HUMAN ALDOSE REDUCTASE: MECHANISTIC IMPLICATIONS FOR THE BINDING OF CITRATE, CACODYLATE, AND GLUCOSE-6- PHOSPHATE

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`		[NAP]A:316	`48`	`1`	`898`	`f`	A	x,y,z	`1_555`	`78`	`30`	`13635`	`600.7`	`-4.2`	`0.432`	`19`	`0`	`0`	`0.136`
`2`		A	`55`	`21`	`13635`	`x`	A	-x+1,y-1/2,-z+3/2	`3_646`	`43`	`13`	`13635`	`442.1`	`0.5`	`0.722`	`4`	`0`	`0`	`0.000`
`3`		A	`46`	`15`	`13635`	`x`	A	-x+1/2,-y+1,z-1/2	`2_564`	`38`	`14`	`13635`	`395.6`	`0.9`	`0.751`	`3`	`1`	`0`	`0.000`
`4`		A	`30`	`10`	`13635`	`x`	A	x-1,y,z	`1_455`	`33`	`10`	`13635`	`262.8`	`1.4`	`0.773`	`4`	`1`	`0`	`0.000`
`5`		A	`19`	`7`	`13635`	`x`	A	-x,y-1/2,-z+3/2	`3_546`	`30`	`9`	`13635`	`221.6`	`-0.2`	`0.561`	`2`	`0`	`0`	`0.000`
`6`		[CAC]A:317	`5`	`1`	`238`	`f`	A	x,y,z	`1_555`	`22`	`8`	`13635`	`139.1`	`3.0`	`0.343`	`0`	`0`	`0`	`0.000`
`7`		[NAP]A:316	`8`	`1`	`898`	`f`	[CAC]A:317	x,y,z	`1_555`	`4`	`1`	`238`	`51.5`	`0.3`	`0.223`	`0`	`0`	`0`	`0.000`
`8`		[NAP]A:316	`6`	`1`	`898`	`◊`	A	-x+1,y-1/2,-z+3/2	`3_646`	`5`	`2`	`13635`	`38.5`	`0.1`	`0.598`	`1`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe