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PISA Interface List.

Interfaces in PDB 1aed crystal.
Space symmetry group: P 21 21 21. Resolution: 2.10 Å

SPECIFICITY OF LIGAND BINDING TO A BURIED POLAR CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE (3,4- DIMETHYLTHIAZOLE)

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`		[HEM]A:295	`43`	`1`	`811`	`f`	A	x,y,z	`1_555`	`92`	`33`	`12913`	`625.7`	`-21.6`	`0.369`	`3`	`0`	`0`	`0.092`
`2`		A	`34`	`10`	`12913`	`x`	A	-x+1/2,-y+2,z-1/2	`2_574`	`41`	`13`	`12913`	`314.7`	`0.9`	`0.767`	`0`	`2`	`0`	`0.000`
`3`		A	`28`	`9`	`12913`	`x`	A	x-1/2,-y+5/2,-z+2	`4_477`	`30`	`8`	`12913`	`248.3`	`0.1`	`0.689`	`2`	`4`	`0`	`0.000`
`4`		[DTI]A:296	`7`	`1`	`261`	`f`	A	x,y,z	`1_555`	`31`	`14`	`12913`	`144.8`	`0.9`	`0.559`	`0`	`0`	`0`	`0.000`
`5`		[DTI]A:296	`3`	`1`	`261`	`f`	[HEM]A:295	x,y,z	`1_555`	`14`	`1`	`811`	`50.8`	`-2.8`	`0.411`	`0`	`0`	`0`	`0.011`

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

Protein Data Bank
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