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Session Map (id=618-A4-CF6)

Interfaces in PDB 3k1o crystal.
Space symmetry group: P 31 2 1. Resolution: 2.89 Å

CRYSTAL STRUCTURE OF STEROL 14-ALPHA DEMETHYLASE (CYP51) FROM TRYPANOSOMA CRUZI IN COMPLEX WITH A POTENTIAL ANTICHAGASIC DRUG, POSACONAZOLE

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`		[POZ]A:490	`48`	`1`	`963`	`f`	A	x,y,z	`1_555`	`98`	`32`	`20238`	`676.5`	`-15.3`	`0.146`	`1`	`0`	`0`	`0.035`
`2`		[HEM]A:488	`43`	`1`	`790`	`f`	A	x,y,z	`1_555`	`84`	`34`	`20238`	`565.3`	`-22.4`	`0.196`	`6`	`0`	`0`	`0.056`
`3`		A	`59`	`19`	`20238`	`◊`	A	x-y,-y,-z-1/3	`5_554`	`59`	`19`	`20238`	`515.2`	`4.7`	`0.934`	`12`	`10`	`0`	`0.000`
`4`		A	`32`	`10`	`20238`	`x`	A	y-1,x,-z	`4_455`	`33`	`9`	`20238`	`274.1`	`-0.7`	`0.601`	`1`	`1`	`0`	`0.000`
`5`		[POZ]A:490	`11`	`1`	`963`	`f`	[HEM]A:488	x,y,z	`1_555`	`32`	`1`	`790`	`133.9`	`-3.8`	`0.864`	`0`	`0`	`0`	`0.008`
`6`		A	`19`	`7`	`20238`	`x`	A	x-1,y,z	`1_455`	`7`	`5`	`20238`	`89.6`	`-1.7`	`0.333`	`0`	`0`	`0`	`0.000`
`7`		A	`7`	`3`	`20238`	`◊`	A	y-1,x+1,-z	`4_465`	`7`	`3`	`20238`	`77.6`	`-2.4`	`0.083`	`0`	`0`	`0`	`0.000`
`8`		A	`11`	`4`	`20238`	`x`	A	x-1,y-1,z	`1_445`	`6`	`3`	`20238`	`74.0`	`-1.3`	`0.194`	`0`	`0`	`0`	`0.000`
`9`		A	`3`	`2`	`20238`	`◊`	A	y,x,-z	`4_555`	`3`	`2`	`20238`	`27.7`	`0.9`	`0.891`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe