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PISA Interface List.

Session Map (id=536-41-278)

Interfaces in PDB 6vsf crystal.
Space symmetry group: P 21 21 21. Resolution: 2.01 Å

MYCOBACTERIUM TUBERCULOSIS DIHYDROFOLATE REDUCTASE IN COMPLEX WITH 4- (3,4-DIHYDRO-2H-BENZO[B][1,4]DIOXEPIN-7-YL)-4-OXOBUTANOIC ACID(FRAGMENT 16)

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`		B	`77`	`22`	`8779`	`◊`	A	x,y,z	`1_555`	`91`	`26`	`8727`	`778.1`	`1.2`	`0.732`	`9`	`8`	`0`	`0.046`
2	`2`		[NAP]A:203	`47`	`1`	`924`	`f`	A	x,y,z	`1_555`	`88`	`30`	`8727`	`656.6`	`-2.9`	`0.518`	`24`	`0`	`0`	`0.302`
	`3`		[NAP]B:204	`48`	`1`	`918`	`f`	B	x,y,z	`1_555`	`88`	`30`	`8779`	`646.1`	`-3.0`	`0.506`	`21`	`0`	`0`	`0.302`
	*Average:*													`651.3`	`-2.9`	`0.512`	`23`	`0`	`0`	`0.302`
3	`4`		B	`58`	`17`	`8779`	`◊`	A	-x+1,y-1/2,-z+1/2	`3_645`	`67`	`23`	`8727`	`565.7`	`-4.0`	`0.358`	`5`	`2`	`0`	`0.000`
4	`5`		B	`64`	`20`	`8779`	`◊`	A	-x+1/2,-y,z-1/2	`2_554`	`60`	`18`	`8727`	`556.6`	`-3.7`	`0.416`	`6`	`1`	`0`	`0.000`
5	`6`		B	`42`	`12`	`8779`	`x`	B	-x+1,y-1/2,-z+1/2	`3_645`	`50`	`13`	`8779`	`386.1`	`-3.0`	`0.388`	`3`	`0`	`0`	`0.000`
6	`7`		A	`36`	`12`	`8727`	`x`	A	-x+1/2,-y,z-1/2	`2_554`	`34`	`9`	`8727`	`299.8`	`-2.0`	`0.434`	`1`	`0`	`0`	`0.000`
7	`8`		[RKY]A:201	`18`	`1`	`420`	`f`	A	x,y,z	`1_555`	`32`	`13`	`8727`	`267.6`	`-2.5`	`0.582`	`3`	`0`	`0`	`0.087`
	`9`		[RKY]B:201	`18`	`1`	`424`	`f`	B	x,y,z	`1_555`	`32`	`13`	`8779`	`232.2`	`-2.2`	`0.530`	`3`	`0`	`0`	`0.087`
	*Average:*													`249.9`	`-2.4`	`0.556`	`3`	`0`	`0`	`0.087`
8	`10`		[RKY]B:202	`18`	`1`	`424`	`f`	B	x,y,z	`1_555`	`29`	`10`	`8779`	`227.6`	`-2.7`	`0.553`	`0`	`0`	`0`	`0.031`
9	`11`		A	`26`	`7`	`8727`	`◊`	B	x-1,y,z	`1_455`	`25`	`7`	`8779`	`217.1`	`-1.2`	`0.507`	`2`	`4`	`0`	`0.000`
10	`12`		A	`22`	`8`	`8727`	`x`	A	-x,y-1/2,-z+1/2	`3_545`	`18`	`5`	`8727`	`207.4`	`-1.9`	`0.129`	`2`	`0`	`0`	`0.000`
11	`13`		B	`16`	`5`	`8779`	`x`	B	-x+3/2,-y,z-1/2	`2_654`	`19`	`7`	`8779`	`188.1`	`-2.3`	`0.152`	`2`	`0`	`0`	`0.000`
12	`14`		[GOL]A:204	`6`	`1`	`218`	`f`	A	x,y,z	`1_555`	`20`	`7`	`8727`	`128.7`	`-0.2`	`0.585`	`5`	`0`	`0`	`0.028`
13	`15`		[GOL]B:205	`6`	`1`	`215`	`f`	B	x,y,z	`1_555`	`23`	`8`	`8779`	`110.0`	`-0.7`	`0.525`	`2`	`0`	`0`	`0.019`
14	`16`		[PO4]B:207	`5`	`1`	`187`	`◊`	A	-x+1/2,-y,z-1/2	`2_554`	`8`	`5`	`8727`	`83.3`	`-3.6`	`0.876`	`2`	`0`	`0`	`0.000`
15	`17`		[RKY]B:202	`11`	`1`	`424`	`f`	[RKY]B:201	x,y,z	`1_555`	`13`	`1`	`424`	`82.4`	`-0.9`	`0.769`	`0`	`0`	`0`	`0.010`
16	`18`		[PO4]B:207	`5`	`1`	`187`	`cf`	B	x,y,z	`1_555`	`6`	`3`	`8779`	`76.7`	`-3.9`	`0.898`	`0`	`0`	`0`	`0.045`
17	`19`		[PO4]A:205	`5`	`1`	`188`	`f`	A	x,y,z	`1_555`	`8`	`3`	`8727`	`69.5`	`-2.6`	`0.930`	`4`	`0`	`0`	`0.051`
18	`20`		[PO4]B:206	`5`	`1`	`189`	`f`	B	x,y,z	`1_555`	`7`	`2`	`8779`	`68.2`	`-2.8`	`0.918`	`3`	`0`	`0`	`0.049`
19	`21`		[CO]B:203	`1`	`1`	`125`	`f`	B	x,y,z	`1_555`	`8`	`5`	`8779`	`54.6`	`-7.5`	`0.000`	`0`	`0`	`0`	`0.165`
	`22`		[CO]A:202	`1`	`1`	`125`	`f`	A	x,y,z	`1_555`	`8`	`5`	`8727`	`48.7`	`-6.6`	`0.000`	`0`	`0`	`0`	`0.165`
	*Average:*													`51.6`	`-7.0`	`0.000`	`0`	`0`	`0`	`0.165`
20	`23`		[NAP]A:203	`7`	`1`	`924`	`f`	[RKY]A:201	x,y,z	`1_555`	`4`	`1`	`420`	`43.3`	`-1.3`	`0.433`	`0`	`0`	`0`	`0.027`
	`24`		[NAP]B:204	`8`	`1`	`918`	`f`	[RKY]B:201	x,y,z	`1_555`	`3`	`1`	`424`	`39.2`	`-1.0`	`0.443`	`0`	`0`	`0`	`0.027`
	*Average:*													`41.3`	`-1.2`	`0.438`	`0`	`0`	`0`	`0.027`
21	`25`		[CO]A:202	`1`	`1`	`125`	`◊`	B	x,y,z	`1_555`	`8`	`4`	`8779`	`41.7`	`-5.3`	`0.000`	`0`	`0`	`0`	`0.112`
	`26`		[CO]B:203	`1`	`1`	`125`	`◊`	A	x,y,z	`1_555`	`8`	`4`	`8727`	`36.3`	`-4.3`	`0.000`	`0`	`0`	`0`	`0.112`
	*Average:*													`39.0`	`-4.8`	`0.000`	`0`	`0`	`0`	`0.112`
22	`27`		[GOL]B:205	`4`	`1`	`215`	`cf`	[RKY]B:201	x,y,z	`1_555`	`5`	`1`	`424`	`38.6`	`0.8`	`0.774`	`0`	`0`	`0`	`0.000`
23	`28`		[GOL]B:205	`4`	`1`	`215`	`f`	[RKY]B:202	x,y,z	`1_555`	`3`	`1`	`424`	`32.8`	`0.0`	`0.626`	`0`	`0`	`0`	`0.000`
24	`29`		[GOL]A:204	`2`	`1`	`218`	`f`	[RKY]A:201	x,y,z	`1_555`	`5`	`1`	`420`	`32.7`	`0.0`	`0.456`	`0`	`0`	`0`	`0.000`
25	`30`		[GOL]B:205	`1`	`1`	`215`	`f`	[NAP]B:204	x,y,z	`1_555`	`3`	`1`	`918`	`14.5`	`-0.2`	`0.516`	`0`	`0`	`0`	`0.002`
26	`31`		[NAP]B:204	`1`	`1`	`918`	`f`	[RKY]B:202	x,y,z	`1_555`	`3`	`1`	`424`	`14.5`	`-1.0`	`0.236`	`0`	`0`	`0`	`0.011`
27	`32`		[PO4]B:206	`1`	`1`	`189`	`f`	[NAP]B:204	x,y,z	`1_555`	`2`	`1`	`918`	`12.3`	`-1.0`	`0.490`	`0`	`0`	`0`	`0.012`
28	`33`		B	`2`	`1`	`8779`	`◊`	[CO]A:202	-x+1,y-1/2,-z+1/2	`3_645`	`1`	`1`	`125`	`10.7`	`-1.0`	`0.000`	`0`	`0`	`0`	`0.000`
	`34`		[CO]B:203	`1`	`1`	`125`	`◊`	A	-x+1/2,-y,z-1/2	`2_554`	`4`	`2`	`8727`	`10.5`	`-1.2`	`0.000`	`0`	`0`	`0`	`0.000`
	*Average:*													`10.6`	`-1.1`	`0.000`	`0`	`0`	`0`	`0.000`
29	`35`		[PO4]A:205	`1`	`1`	`188`	`f`	[NAP]A:203	x,y,z	`1_555`	`2`	`1`	`924`	`9.4`	`-0.9`	`0.470`	`0`	`0`	`0`	`0.010`
30	`36`		[PO4]B:207	`3`	`1`	`187`	`f`	[RKY]B:201	x,y,z	`1_555`	`1`	`1`	`424`	`6.2`	`-0.3`	`0.846`	`0`	`0`	`0`	`0.003`
31	`37`		[GOL]A:204	`2`	`1`	`218`	`f`	[NAP]A:203	x,y,z	`1_555`	`3`	`1`	`924`	`5.4`	`0.0`	`0.535`	`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