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Session Map (id=545-64-KC5)

Interfaces in PDB 4i4h crystal.
Space symmetry group: I 2 2 2. Resolution: 2.90 Å

CRYSTAL STRUCTURE OF CYP3A4 LIGATED TO PYRIDINE-SUBSTITUTED DESOXYRITONAVIR

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`		[Z9Z]A:602	`47`	`1`	`931`	`f`	A	x,y,z	`1_555`	`93`	`28`	`20725`	`644.2`	`-13.2`	`0.448`	`1`	`0`	`0`	`0.237`
`2`		A	`53`	`18`	`20725`	`◊`	A	-x,y,-z	`3_555`	`54`	`18`	`20725`	`631.0`	`-7.5`	`0.196`	`6`	`8`	`0`	`0.098`
`3`		[HEM]A:601	`42`	`1`	`835`	`f`	A	x,y,z	`1_555`	`82`	`34`	`20725`	`562.3`	`-21.2`	`0.439`	`9`	`0`	`0`	`0.437`
`4`		A	`39`	`13`	`20725`	`◊`	A	-x,-y,z	`2_555`	`39`	`13`	`20725`	`417.8`	`-12.6`	`0.003`	`0`	`0`	`0`	`0.109`
`5`		A	`33`	`12`	`20725`	`◊`	A	x,-y,-z	`4_555`	`33`	`12`	`20725`	`264.8`	`-7.3`	`0.061`	`0`	`0`	`0`	`0.064`
`6`		A	`26`	`10`	`20725`	`x`	A	-x-1/2,y-1/2,-z-1/2	`7_444`	`21`	`7`	`20725`	`171.0`	`-0.2`	`0.705`	`3`	`0`	`0`	`0.000`
`7`		[Z9Z]A:602	`11`	`1`	`931`	`f`	[HEM]A:601	x,y,z	`1_555`	`27`	`1`	`835`	`114.5`	`-3.2`	`0.787`	`0`	`0`	`0`	`0.055`
`8`		A	`14`	`5`	`20725`	`◊`	A	x,-y+1,-z	`4_565`	`14`	`5`	`20725`	`90.9`	`1.5`	`0.868`	`0`	`0`	`0`	`0.000`
`9`		A	`9`	`4`	`20725`	`◊`	A	-x,-y+1,z	`2_565`	`9`	`4`	`20725`	`70.2`	`0.7`	`0.806`	`2`	`0`	`0`	`0.000`
`10`		A	`9`	`3`	`20725`	`x`	A	x-1/2,-y+1/2,-z-1/2	`8_454`	`4`	`2`	`20725`	`57.1`	`1.2`	`0.854`	`1`	`1`	`0`	`0.000`
`11`		A	`10`	`6`	`20725`	`◊`	A	-x-1,y,-z	`3_455`	`10`	`6`	`20725`	`51.1`	`0.2`	`0.724`	`0`	`0`	`0`	`0.000`
`12`		A	`3`	`2`	`20725`	`◊`	A	-x-1,-y,z	`2_455`	`3`	`2`	`20725`	`12.2`	`0.6`	`0.862`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe