PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=116-HM-FBE)

Interfaces in PDB 4xuc crystal.
Space symmetry group: P 21 21 21. Resolution: 1.80 Å

SYNTHESIS AND EVALUATION OF HETEROCYCLIC CATECHOL MIMICS AS INHIBITORS OF CATECHOL-O-METHYLTRANSFERASE (COMT): STRUCTURE WITH CMPD18 (1- (BIPHENYL-3-YL)-3-HYDROXYPYRIDIN-4(1H)-ONE)

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`		A	`58`	`18`	`9490`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`61`	`15`	`9490`	`543.5`	`-0.2`	`0.697`	`6`	`4`	`0`	`0.000`
`2`		A	`60`	`18`	`9490`	`x`	A	-x,y-1/2,-z-1/2	`3_544`	`56`	`12`	`9490`	`461.6`	`-4.0`	`0.282`	`4`	`2`	`0`	`0.000`
`3`		[43G]A:301	`20`	`1`	`461`	`f`	A	x,y,z	`1_555`	`36`	`14`	`9490`	`226.9`	`-2.8`	`0.173`	`4`	`0`	`0`	`0.039`
`4`		[MES]A:304	`12`	`1`	`350`	`◊`	A	-x,y-1/2,-z-1/2	`3_544`	`22`	`8`	`9490`	`125.9`	`2.1`	`0.027`	`0`	`0`	`0`	`0.000`
`5`		[43G]A:301	`11`	`1`	`461`	`◊`	A	-x,y-1/2,-z-1/2	`3_544`	`9`	`4`	`9490`	`79.1`	`1.0`	`0.348`	`0`	`0`	`0`	`0.000`
`6`		[MES]A:304	`8`	`1`	`350`	`f`	[43G]A:301	x,y,z	`1_555`	`8`	`1`	`461`	`66.5`	`1.1`	`0.032`	`0`	`0`	`0`	`0.000`
`7`		[MES]A:304	`5`	`1`	`350`	`f`	A	x,y,z	`1_555`	`12`	`3`	`9490`	`52.2`	`2.2`	`0.281`	`0`	`0`	`0`	`0.000`
`8`		[MG]A:302	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`8`	`6`	`9490`	`36.3`	`-6.6`	`0.000`	`0`	`0`	`0`	`0.056`
`9`		[MG]A:302	`1`	`1`	`98`	`f`	[43G]A:301	x,y,z	`1_555`	`4`	`1`	`461`	`29.5`	`-3.9`	`0.000`	`0`	`0`	`0`	`0.033`
`10`		A	`1`	`1`	`9490`	`x`	A	x-1,y,z	`1_455`	`2`	`1`	`9490`	`18.2`	`0.1`	`0.474`	`0`	`0`	`0`	`0.000`

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

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PDBePISA

Protein Data Bank in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank
in Europe