PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=251-IL-KJF)

Interfaces in PDB 4tti crystal.
Space symmetry group: P 21 21 21. Resolution: 1.89 Å

CRYSTAL STRUCTURE OF DOUBLE MUTANT E. COLI PURINE NUCLEOSIDE PHOSPHORYLASE WITH 4 FMC MOLECULES

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	`168`	`40`	`11069`	`◊`	C	x,y,z	`1_555`	`171`	`41`	`10671`	`1713.1`	`-20.7`	`0.106`	`18`	`14`	`0`	`0.511`
	`2`		F	`171`	`40`	`11070`	`◊`	A	x,y,z	`1_555`	`172`	`41`	`11041`	`1706.5`	`-21.8`	`0.099`	`20`	`14`	`0`	`0.511`
	`3`		D	`168`	`40`	`11348`	`◊`	B	x,y,z	`1_555`	`168`	`42`	`11009`	`1681.9`	`-21.7`	`0.106`	`15`	`11`	`0`	`0.511`
	*Average:*													`1700.5`	`-21.4`	`0.104`	`18`	`13`	`0`	`0.511`
2	`4`		D	`165`	`41`	`11348`	`◊`	A	x,y,z	`1_555`	`160`	`44`	`11041`	`1595.5`	`-24.1`	`0.043`	`2`	`0`	`0`	`0.394`
	`5`		F	`165`	`45`	`11070`	`◊`	C	x,y,z	`1_555`	`165`	`41`	`10671`	`1592.5`	`-23.8`	`0.049`	`2`	`0`	`0`	`0.394`
	`6`		E	`159`	`41`	`11069`	`◊`	B	x,y,z	`1_555`	`156`	`40`	`11009`	`1553.5`	`-25.7`	`0.024`	`2`	`0`	`0`	`0.394`
	*Average:*													`1580.5`	`-24.5`	`0.039`	`2`	`0`	`0`	`0.394`
3	`7`		E	`55`	`15`	`11069`	`◊`	F	x-1,y,z	`1_455`	`46`	`13`	`11070`	`442.9`	`0.8`	`0.735`	`13`	`4`	`0`	`0.000`
	`8`		B	`23`	`8`	`11009`	`◊`	C	x-1,y,z	`1_455`	`32`	`9`	`10671`	`209.0`	`-2.1`	`0.486`	`0`	`0`	`0`	`0.000`
	*Average:*													`326.0`	`-0.7`	`0.610`	`7`	`2`	`0`	`0.000`
4	`9`		B	`44`	`12`	`11009`	`x`	B	x-1/2,-y+1/2,-z	`4_455`	`39`	`12`	`11009`	`396.0`	`-1.9`	`0.525`	`1`	`0`	`0`	`0.000`
5	`10`		F	`36`	`12`	`11070`	`◊`	A	-x,y-1/2,-z-1/2	`3_544`	`38`	`12`	`11041`	`324.5`	`0.5`	`0.744`	`5`	`7`	`0`	`0.000`
6	`11`		[FMC]D:302	`19`	`1`	`410`	`f`	D	x,y,z	`1_555`	`37`	`16`	`11348`	`249.3`	`-0.3`	`0.326`	`3`	`0`	`0`	`0.059`
	`12`		[FMC]F:301	`19`	`1`	`403`	`f`	F	x,y,z	`1_555`	`36`	`15`	`11070`	`243.5`	`-0.4`	`0.321`	`3`	`0`	`0`	`0.059`
	`13`		[FMC]A:300	`19`	`1`	`402`	`f`	A	x,y,z	`1_555`	`37`	`15`	`11041`	`242.6`	`-0.5`	`0.321`	`3`	`0`	`0`	`0.059`
	`14`		[FMC]C:301	`19`	`1`	`410`	`f`	C	x,y,z	`1_555`	`32`	`14`	`10671`	`241.8`	`-0.2`	`0.317`	`4`	`0`	`0`	`0.059`
	*Average:*													`244.3`	`-0.4`	`0.321`	`3`	`0`	`0`	`0.059`
7	`15`		D	`34`	`11`	`11348`	`◊`	A	x-1,y,z	`1_455`	`29`	`9`	`11041`	`244.1`	`-0.1`	`0.690`	`0`	`0`	`0`	`0.000`
8	`16`		F	`21`	`6`	`11070`	`◊`	D	-x,y-1/2,-z-1/2	`3_544`	`25`	`10`	`11348`	`187.9`	`0.7`	`0.735`	`2`	`0`	`0`	`0.000`
	`17`		C	`24`	`9`	`10671`	`◊`	A	-x,y-1/2,-z-1/2	`3_544`	`21`	`7`	`11041`	`182.7`	`1.1`	`0.748`	`2`	`0`	`0`	`0.000`
	*Average:*													`185.3`	`0.9`	`0.741`	`2`	`0`	`0`	`0.000`
9	`18`		F	`23`	`6`	`11070`	`◊`	D	-x-1,y-1/2,-z-1/2	`3_444`	`20`	`10`	`11348`	`181.1`	`-0.2`	`0.662`	`1`	`0`	`0`	`0.000`
10	`19`		B	`17`	`7`	`11009`	`◊`	F	x-1,y,z	`1_455`	`19`	`7`	`11070`	`156.9`	`0.5`	`0.742`	`3`	`4`	`0`	`0.000`
11	`20`		E	`15`	`6`	`11069`	`◊`	C	x-1/2,-y-1/2,-z	`4_445`	`17`	`5`	`10671`	`130.4`	`-2.2`	`0.342`	`0`	`0`	`0`	`0.000`
12	`21`		[PO4]E:301	`5`	`1`	`188`	`f`	E	x,y,z	`1_555`	`21`	`10`	`11069`	`114.9`	`-7.0`	`0.719`	`6`	`0`	`0`	`0.131`
13	`22`		B	`11`	`5`	`11009`	`◊`	A	x,y,z	`1_555`	`12`	`4`	`11041`	`112.8`	`1.4`	`0.844`	`1`	`0`	`0`	`0.000`
	`23`		C	`11`	`5`	`10671`	`◊`	B	x,y,z	`1_555`	`13`	`4`	`11009`	`109.2`	`1.3`	`0.823`	`1`	`0`	`0`	`0.000`
	`24`		C	`12`	`4`	`10671`	`◊`	A	x,y,z	`1_555`	`11`	`5`	`11041`	`106.0`	`1.7`	`0.862`	`1`	`0`	`0`	`0.000`
	`25`		F	`10`	`4`	`11070`	`◊`	E	x,y,z	`1_555`	`10`	`5`	`11069`	`99.7`	`0.7`	`0.758`	`1`	`0`	`0`	`0.000`
	`26`		E	`10`	`4`	`11069`	`◊`	D	x,y,z	`1_555`	`12`	`5`	`11348`	`96.2`	`0.7`	`0.765`	`1`	`0`	`0`	`0.000`
	`27`		F	`11`	`5`	`11070`	`◊`	D	x,y,z	`1_555`	`11`	`4`	`11348`	`94.7`	`0.8`	`0.772`	`1`	`0`	`0`	`0.000`
	*Average:*													`103.1`	`1.1`	`0.804`	`1`	`0`	`0`	`0.000`
14	`28`		D	`15`	`6`	`11348`	`◊`	F	x-1,y,z	`1_455`	`13`	`6`	`11070`	`105.6`	`1.5`	`0.832`	`0`	`0`	`0`	`0.000`
15	`29`		[PO4]B:301	`5`	`1`	`188`	`f`	B	x,y,z	`1_555`	`21`	`10`	`11009`	`104.5`	`-5.1`	`0.827`	`7`	`0`	`0`	`0.139`
16	`30`		[PO4]C:302	`5`	`1`	`189`	`f`	C	x,y,z	`1_555`	`21`	`11`	`10671`	`87.9`	`-5.4`	`0.713`	`7`	`0`	`0`	`0.136`
17	`31`		[PO4]D:301	`5`	`1`	`188`	`f`	D	x,y,z	`1_555`	`21`	`11`	`11348`	`84.4`	`-4.6`	`0.819`	`6`	`0`	`0`	`0.123`
18	`32`		[PO4]A:301	`5`	`1`	`188`	`f`	A	x,y,z	`1_555`	`19`	`9`	`11041`	`79.1`	`-4.6`	`0.834`	`8`	`0`	`0`	`0.122`
19	`33`		[PO4]F:302	`5`	`1`	`188`	`f`	F	x,y,z	`1_555`	`19`	`9`	`11070`	`78.8`	`-4.6`	`0.830`	`7`	`0`	`0`	`0.123`
20	`34`		E	`10`	`5`	`11069`	`f`	[SO4]C:304	x-1,y,z	`1_455`	`5`	`1`	`185`	`74.8`	`-9.7`	`0.898`	`3`	`0`	`0`	`0.149`
21	`35`		[SO4]C:303	`4`	`1`	`185`	`f`	C	x,y,z	`1_555`	`9`	`4`	`10671`	`74.5`	`-9.5`	`0.910`	`3`	`0`	`0`	`0.172`
22	`36`		[SO4]E:302	`4`	`1`	`185`	`f`	E	x,y,z	`1_555`	`8`	`4`	`11069`	`74.1`	`-9.7`	`0.865`	`2`	`0`	`0`	`0.144`
23	`37`		[SO4]D:303	`5`	`1`	`184`	`f`	D	x,y,z	`1_555`	`9`	`4`	`11348`	`67.6`	`-8.4`	`0.894`	`2`	`0`	`0`	`0.158`
24	`38`		[FMC]C:301	`6`	`1`	`410`	`◊`	F	x,y,z	`1_555`	`7`	`3`	`11070`	`66.5`	`1.2`	`0.598`	`2`	`0`	`0`	`0.000`
	`39`		[FMC]D:302	`8`	`1`	`410`	`◊`	A	x,y,z	`1_555`	`7`	`3`	`11041`	`65.1`	`1.3`	`0.601`	`2`	`0`	`0`	`0.000`
	`40`		[FMC]F:301	`8`	`1`	`403`	`◊`	C	x,y,z	`1_555`	`8`	`4`	`10671`	`64.3`	`1.2`	`0.587`	`2`	`0`	`0`	`0.000`
	`41`		[FMC]A:300	`8`	`1`	`402`	`◊`	D	x,y,z	`1_555`	`8`	`4`	`11348`	`64.1`	`1.2`	`0.574`	`2`	`0`	`0`	`0.000`
	*Average:*													`65.0`	`1.2`	`0.590`	`2`	`0`	`0`	`0.000`
25	`42`		[SO4]F:303	`5`	`1`	`186`	`f`	A	-x,y-1/2,-z-1/2	`3_544`	`7`	`3`	`11041`	`62.0`	`-9.2`	`0.566`	`2`	`0`	`0`	`0.152`
26	`43`		[SO4]D:303	`4`	`1`	`184`	`◊`	A	x-1,y,z	`1_455`	`7`	`3`	`11041`	`60.8`	`-7.4`	`0.841`	`2`	`0`	`0`	`0.000`
27	`44`		[SO4]F:303	`5`	`1`	`186`	`◊`	F	x,y,z	`1_555`	`8`	`4`	`11070`	`49.8`	`-5.6`	`0.882`	`1`	`0`	`0`	`0.000`
28	`45`		[PO4]C:302	`4`	`1`	`189`	`f`	[FMC]C:301	x,y,z	`1_555`	`6`	`1`	`410`	`44.1`	`-2.3`	`0.539`	`0`	`0`	`0`	`0.036`
29	`46`		[PO4]D:301	`4`	`1`	`188`	`f`	[FMC]D:302	x,y,z	`1_555`	`6`	`1`	`410`	`43.6`	`-2.4`	`0.532`	`0`	`0`	`0`	`0.041`
30	`47`		[PO4]F:302	`4`	`1`	`188`	`f`	[FMC]F:301	x,y,z	`1_555`	`6`	`1`	`403`	`41.8`	`-2.3`	`0.506`	`0`	`0`	`0`	`0.036`
31	`48`		[PO4]A:301	`4`	`1`	`188`	`f`	[FMC]A:300	x,y,z	`1_555`	`6`	`1`	`402`	`41.0`	`-2.2`	`0.506`	`0`	`0`	`0`	`0.033`
32	`49`		[PO4]E:301	`3`	`1`	`188`	`◊`	B	x,y,z	`1_555`	`3`	`1`	`11009`	`38.2`	`-1.0`	`0.917`	`3`	`0`	`0`	`0.032`
33	`50`		[PO4]B:301	`3`	`1`	`188`	`◊`	E	x,y,z	`1_555`	`2`	`1`	`11069`	`37.1`	`-1.1`	`0.923`	`3`	`0`	`0`	`0.033`
34	`51`		[PO4]C:302	`3`	`1`	`189`	`◊`	F	x,y,z	`1_555`	`2`	`1`	`11070`	`35.2`	`-0.6`	`0.927`	`3`	`0`	`0`	`0.031`
35	`52`		[PO4]D:301	`3`	`1`	`188`	`◊`	A	x,y,z	`1_555`	`2`	`1`	`11041`	`35.1`	`-0.5`	`0.931`	`2`	`0`	`0`	`0.020`
36	`53`		[PO4]A:301	`3`	`1`	`188`	`◊`	D	x,y,z	`1_555`	`2`	`1`	`11348`	`32.3`	`-0.5`	`0.930`	`2`	`0`	`0`	`0.020`
37	`54`		[PO4]F:302	`3`	`1`	`188`	`◊`	C	x,y,z	`1_555`	`2`	`1`	`10671`	`31.4`	`-0.5`	`0.929`	`2`	`0`	`0`	`0.022`
38	`55`		[SO4]F:303	`1`	`1`	`186`	`◊`	D	-x,y-1/2,-z-1/2	`3_544`	`2`	`1`	`11348`	`14.9`	`-2.0`	`0.550`	`0`	`0`	`0`	`0.028`
39	`56`		B	`3`	`2`	`11009`	`◊`	A	x-1,y,z	`1_455`	`5`	`2`	`11041`	`14.6`	`-0.1`	`0.620`	`0`	`0`	`0`	`0.000`
40	`57`		[SO4]E:302	`1`	`1`	`185`	`f`	[SO4]C:304	x-1,y,z	`1_455`	`3`	`1`	`185`	`12.4`	`-2.8`	`0.891`	`0`	`0`	`0`	`0.039`

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