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PISA Interface List.

Session Map (id=272-HL-L0K)

Interfaces in PDB 6pf8 crystal.
Space symmetry group: C 1 2 1. Resolution: 2.53 Å

CRYSTAL STRUCTURE OF TS-DHFR FROM CRYPTOSPORIDIUM HOMINIS IN COMPLEX WITH NADPH, FDUMP AND 2-(4-((2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2, 3-D]PYRIMIDIN-5-YL)METHYL)BENZAMIDO)-4-CHLOROBENZOIC ACID

Interfaces

##			Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
Id	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	`1`		E	`422`	`103`	`24095`	`◊`	E	-x-1,y,-z	`2_455`	`418`	`103`	`24095`	`4160.3`	`-27.6`	`0.358`	`61`	`28`	`0`	`0.459`
	`2`		D	`418`	`101`	`24231`	`◊`	C	x,y,z	`1_555`	`412`	`103`	`24115`	`4098.5`	`-28.0`	`0.262`	`62`	`28`	`0`	`0.459`
	`3`		B	`414`	`101`	`24156`	`◊`	A	x,y,z	`1_555`	`416`	`100`	`24273`	`4085.3`	`-28.2`	`0.255`	`64`	`28`	`0`	`0.459`
	*Average:*													`4114.7`	`-27.9`	`0.292`	`62`	`28`	`0`	`0.459`
2	`4`		[NDP]D:601	`46`	`1`	`918`	`f`	D	x,y,z	`1_555`	`75`	`32`	`24231`	`592.9`	`-4.4`	`0.424`	`24`	`0`	`0`	`0.220`
	`5`		[NDP]A:601	`46`	`1`	`916`	`f`	A	x,y,z	`1_555`	`76`	`32`	`24273`	`591.8`	`-4.2`	`0.427`	`20`	`0`	`0`	`0.220`
	`6`		[NDP]E:601	`47`	`1`	`912`	`f`	E	x,y,z	`1_555`	`73`	`32`	`24095`	`590.1`	`-4.5`	`0.428`	`23`	`0`	`0`	`0.220`
	`7`		[NDP]C:601	`46`	`1`	`917`	`f`	C	x,y,z	`1_555`	`75`	`31`	`24115`	`589.8`	`-4.5`	`0.415`	`22`	`0`	`0`	`0.220`
	`8`		[NDP]B:601	`47`	`1`	`914`	`f`	B	x,y,z	`1_555`	`75`	`31`	`24156`	`589.1`	`-4.4`	`0.418`	`24`	`0`	`0`	`0.220`
	*Average:*													`590.7`	`-4.4`	`0.423`	`23`	`0`	`0`	`0.220`
3	`9`		[MTX]D:604	`33`	`1`	`696`	`f`	D	x,y,z	`1_555`	`58`	`24`	`24231`	`457.9`	`-0.8`	`0.298`	`9`	`0`	`0`	`0.072`
	`10`		[MTX]E:604	`33`	`1`	`701`	`f`	E	x,y,z	`1_555`	`55`	`22`	`24095`	`455.6`	`-0.3`	`0.323`	`10`	`0`	`0`	`0.072`
	`11`		[MTX]B:604	`33`	`1`	`697`	`f`	B	x,y,z	`1_555`	`59`	`24`	`24156`	`455.5`	`-0.5`	`0.317`	`8`	`0`	`0`	`0.072`
	`12`		[MTX]C:604	`33`	`1`	`699`	`f`	C	x,y,z	`1_555`	`55`	`23`	`24115`	`454.3`	`-0.5`	`0.299`	`10`	`0`	`0`	`0.072`
	`13`		[MTX]A:604	`33`	`1`	`693`	`f`	A	x,y,z	`1_555`	`54`	`23`	`24273`	`450.4`	`-0.7`	`0.286`	`9`	`0`	`0`	`0.072`
	*Average:*													`454.7`	`-0.5`	`0.305`	`9`	`0`	`0`	`0.072`
4	`14`		[OE7]B:603	`30`	`1`	`639`	`f`	B	x,y,z	`1_555`	`65`	`24`	`24156`	`431.1`	`-8.3`	`0.199`	`6`	`0`	`0`	`0.158`
	`15`		[OE7]C:603	`30`	`1`	`638`	`f`	C	x,y,z	`1_555`	`64`	`24`	`24115`	`428.1`	`-8.1`	`0.209`	`6`	`0`	`0`	`0.158`
	`16`		[OE7]A:603	`30`	`1`	`640`	`f`	A	x,y,z	`1_555`	`64`	`24`	`24273`	`426.7`	`-7.3`	`0.260`	`6`	`0`	`0`	`0.158`
	`17`		[OE7]D:603	`30`	`1`	`638`	`f`	D	x,y,z	`1_555`	`67`	`25`	`24231`	`424.0`	`-7.7`	`0.242`	`6`	`0`	`0`	`0.158`
	`18`		[OE7]E:603	`29`	`1`	`632`	`f`	E	x,y,z	`1_555`	`63`	`24`	`24095`	`423.4`	`-7.7`	`0.250`	`6`	`0`	`0`	`0.158`
	*Average:*													`426.7`	`-7.8`	`0.232`	`6`	`0`	`0`	`0.158`
5	`19`		D	`32`	`8`	`24231`	`x`	A	x-1/2,y-1/2,z	`3_445`	`32`	`10`	`24273`	`288.7`	`-0.1`	`0.629`	`2`	`0`	`0`	`0.000`
	`20`		B	`32`	`10`	`24156`	`x`	B	-x-1/2,y-1/2,-z+1	`4_446`	`32`	`8`	`24156`	`287.8`	`-0.1`	`0.634`	`2`	`0`	`0`	`0.000`
	*Average:*													`288.3`	`-0.1`	`0.631`	`2`	`0`	`0`	`0.000`
6	`21`		[UFP]C:602	`21`	`1`	`459`	`f`	C	x,y,z	`1_555`	`40`	`20`	`24115`	`249.2`	`-1.6`	`0.566`	`11`	`0`	`0`	`0.094`
	`22`		[UFP]A:602	`21`	`1`	`462`	`f`	A	x,y,z	`1_555`	`37`	`19`	`24273`	`248.9`	`-1.0`	`0.626`	`9`	`0`	`0`	`0.094`
	`23`		[UFP]D:602	`21`	`1`	`461`	`f`	D	x,y,z	`1_555`	`38`	`19`	`24231`	`247.2`	`-1.4`	`0.574`	`11`	`0`	`0`	`0.094`
	`24`		[UFP]B:602	`21`	`1`	`461`	`f`	B	x,y,z	`1_555`	`38`	`19`	`24156`	`246.9`	`-2.3`	`0.470`	`10`	`0`	`0`	`0.094`
	`25`		[UFP]E:602	`20`	`1`	`456`	`f`	E	x,y,z	`1_555`	`40`	`20`	`24095`	`246.5`	`-1.7`	`0.555`	`10`	`0`	`0`	`0.094`
	*Average:*													`247.8`	`-1.6`	`0.558`	`10`	`0`	`0`	`0.094`
7	`26`		E	`21`	`4`	`24095`	`◊`	C	x,y,z	`1_555`	`30`	`10`	`24115`	`214.9`	`1.4`	`0.760`	`5`	`1`	`0`	`0.000`
	`27`		D	`31`	`11`	`24231`	`◊`	B	x,y,z	`1_555`	`22`	`5`	`24156`	`214.4`	`1.4`	`0.757`	`5`	`1`	`0`	`0.000`
	`28`		C	`22`	`4`	`24115`	`◊`	A	x,y,z	`1_555`	`29`	`10`	`24273`	`213.1`	`1.4`	`0.753`	`5`	`1`	`0`	`0.000`
	`29`		B	`29`	`10`	`24156`	`◊`	A	-x,y,-z+1	`2_556`	`22`	`4`	`24273`	`210.4`	`1.2`	`0.742`	`5`	`1`	`0`	`0.000`
	`30`		E	`26`	`9`	`24095`	`◊`	D	-x-1,y,-z	`2_455`	`21`	`4`	`24231`	`205.9`	`1.0`	`0.730`	`4`	`1`	`0`	`0.000`
	*Average:*													`211.7`	`1.3`	`0.748`	`5`	`1`	`0`	`0.000`
8	`31`		C	`14`	`6`	`24115`	`◊`	B	x,y,z	`1_555`	`14`	`7`	`24156`	`107.9`	`2.3`	`0.895`	`2`	`0`	`0`	`0.000`
	`32`		A	`13`	`7`	`24273`	`◊`	A	-x,y,-z+1	`2_556`	`14`	`7`	`24273`	`106.4`	`2.4`	`0.897`	`2`	`0`	`0`	`0.000`
	`33`		E	`15`	`7`	`24095`	`◊`	D	x,y,z	`1_555`	`13`	`7`	`24231`	`104.5`	`2.3`	`0.897`	`2`	`0`	`0`	`0.000`
	*Average:*													`106.2`	`2.3`	`0.896`	`2`	`0`	`0`	`0.000`
9	`34`		[UFP]B:602	`8`	`1`	`461`	`◊`	A	x,y,z	`1_555`	`11`	`2`	`24273`	`89.6`	`-2.6`	`0.296`	`4`	`0`	`0`	`0.070`
	`35`		[UFP]A:602	`8`	`1`	`462`	`◊`	B	x,y,z	`1_555`	`10`	`2`	`24156`	`89.4`	`-2.6`	`0.299`	`4`	`0`	`0`	`0.070`
	`36`		[UFP]D:602	`8`	`1`	`461`	`◊`	C	x,y,z	`1_555`	`10`	`2`	`24115`	`88.8`	`-2.6`	`0.300`	`4`	`0`	`0`	`0.070`
	`37`		[UFP]C:602	`8`	`1`	`459`	`◊`	D	x,y,z	`1_555`	`10`	`2`	`24231`	`87.5`	`-2.8`	`0.278`	`4`	`0`	`0`	`0.070`
	`38`		[UFP]E:602	`8`	`1`	`456`	`◊`	E	-x-1,y,-z	`2_455`	`10`	`2`	`24095`	`86.0`	`-2.9`	`0.269`	`4`	`0`	`0`	`0.070`
	*Average:*													`88.3`	`-2.7`	`0.288`	`4`	`0`	`0`	`0.070`
10	`39`		[MTX]D:604	`13`	`1`	`696`	`f`	[NDP]D:601	x,y,z	`1_555`	`10`	`1`	`918`	`80.5`	`0.2`	`0.429`	`0`	`0`	`0`	`0.000`
	`40`		[MTX]C:604	`13`	`1`	`699`	`f`	[NDP]C:601	x,y,z	`1_555`	`10`	`1`	`917`	`80.3`	`0.3`	`0.429`	`0`	`0`	`0`	`0.000`
	`41`		[MTX]E:604	`13`	`1`	`701`	`f`	[NDP]E:601	x,y,z	`1_555`	`10`	`1`	`912`	`78.6`	`0.4`	`0.432`	`0`	`0`	`0`	`0.000`
	`42`		[MTX]A:604	`13`	`1`	`693`	`f`	[NDP]A:601	x,y,z	`1_555`	`10`	`1`	`916`	`76.8`	`0.3`	`0.430`	`0`	`0`	`0`	`0.000`
	`43`		[MTX]B:604	`13`	`1`	`697`	`f`	[NDP]B:601	x,y,z	`1_555`	`10`	`1`	`914`	`74.1`	`0.6`	`0.468`	`0`	`0`	`0`	`0.000`
	*Average:*													`78.1`	`0.4`	`0.437`	`0`	`0`	`0`	`0.000`
11	`44`		[OE7]D:603	`13`	`1`	`638`	`f`	[UFP]D:602	x,y,z	`1_555`	`13`	`1`	`461`	`79.6`	`3.2`	`0.729`	`1`	`0`	`0`	`0.000`
	`45`		[OE7]A:603	`13`	`1`	`640`	`f`	[UFP]A:602	x,y,z	`1_555`	`13`	`1`	`462`	`79.4`	`3.2`	`0.727`	`1`	`0`	`0`	`0.000`
	`46`		[OE7]B:603	`12`	`1`	`639`	`f`	[UFP]B:602	x,y,z	`1_555`	`13`	`1`	`461`	`78.6`	`3.2`	`0.745`	`1`	`0`	`0`	`0.000`
	`47`		[OE7]C:603	`12`	`1`	`638`	`f`	[UFP]C:602	x,y,z	`1_555`	`13`	`1`	`459`	`77.8`	`3.1`	`0.741`	`0`	`0`	`0`	`0.000`
	`48`		[OE7]E:603	`12`	`1`	`632`	`f`	[UFP]E:602	x,y,z	`1_555`	`13`	`1`	`456`	`77.1`	`3.1`	`0.743`	`1`	`0`	`0`	`0.000`
	*Average:*													`78.5`	`3.2`	`0.737`	`1`	`0`	`0`	`0.000`
12	`49`		D	`3`	`1`	`24231`	`◊`	[NDP]A:601	x-1/2,y-1/2,z	`3_445`	`1`	`1`	`916`	`12.9`	`0.1`	`0.574`	`0`	`0`	`0`	`0.000`
	`50`		[NDP]B:601	`1`	`1`	`914`	`◊`	B	-x-1/2,y-1/2,-z+1	`4_446`	`3`	`1`	`24156`	`11.9`	`0.1`	`0.587`	`0`	`0`	`0`	`0.000`
	*Average:*													`12.4`	`0.1`	`0.581`	`0`	`0`	`0`	`0.000`
13	`51`		[OE7]D:603	`1`	`1`	`638`	`◊`	C	x,y,z	`1_555`	`1`	`1`	`24115`	`2.1`	`0.1`	`0.669`	`0`	`0`	`0`	`0.000`
	`52`		[OE7]B:603	`1`	`1`	`639`	`◊`	A	x,y,z	`1_555`	`1`	`1`	`24273`	`2.0`	`0.1`	`0.668`	`0`	`0`	`0`	`0.000`
	`53`		[OE7]E:603	`1`	`1`	`632`	`◊`	E	-x-1,y,-z	`2_455`	`1`	`1`	`24095`	`1.0`	`0.0`	`0.644`	`0`	`0`	`0`	`0.000`
	`54`		[OE7]A:603	`1`	`1`	`640`	`◊`	B	x,y,z	`1_555`	`1`	`1`	`24156`	`1.0`	`0.0`	`0.646`	`0`	`0`	`0`	`0.000`
	`55`		[OE7]C:603	`1`	`1`	`638`	`◊`	D	x,y,z	`1_555`	`1`	`1`	`24231`	`0.5`	`0.0`	`0.631`	`0`	`0`	`0`	`0.000`
	*Average:*													`1.3`	`0.0`	`0.652`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank
in Europe