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Interfaces in PDB 4b0h crystal.
Space symmetry group: P 21 21 21. Resolution: 1.18 Å

B. SUBTILIS DUTPASE YNCF IN COMPLEX WITH DU, PPI AND MG B (P212121)

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`		C	`249`	`61`	`10034`	`◊`	B	x,y,z	`1_555`	`211`	`53`	`10005`	`2118.1`	`-22.3`	`0.199`	`37`	`12`	`0`	`0.658`
	`2`		B	`212`	`52`	`10005`	`◊`	A	x,y,z	`1_555`	`189`	`51`	`8616`	`1821.9`	`-17.3`	`0.252`	`30`	`12`	`0`	`0.658`
	`3`		C	`170`	`41`	`10034`	`◊`	A	x,y,z	`1_555`	`211`	`54`	`8616`	`1731.3`	`-22.6`	`0.083`	`26`	`13`	`0`	`0.658`
	*Average:*													`1890.4`	`-20.7`	`0.178`	`31`	`12`	`0`	`0.658`
2	`4`		[PG4]A:1134	`13`	`1`	`400`	`◊`	A	x,y,z	`1_555`	`26`	`13`	`8616`	`199.6`	`4.3`	`0.392`	`4`	`0`	`0`	`0.000`
3	`5`		[DUR]B:1145	`14`	`1`	`368`	`◊`	B	x,y,z	`1_555`	`29`	`12`	`10005`	`184.9`	`2.4`	`0.482`	`3`	`0`	`0`	`0.000`
4	`6`		C	`19`	`5`	`10034`	`◊`	A	-x,y-1/2,-z+1/2	`3_545`	`23`	`6`	`8616`	`178.3`	`0.5`	`0.723`	`3`	`0`	`0`	`0.000`
5	`7`		[DUR]A:1132	`16`	`1`	`366`	`◊`	A	x,y,z	`1_555`	`28`	`11`	`8616`	`176.1`	`1.7`	`0.439`	`4`	`0`	`0`	`0.000`
	`8`		[DUR]C:1148	`16`	`1`	`365`	`◊`	C	x,y,z	`1_555`	`29`	`11`	`10034`	`175.9`	`1.7`	`0.459`	`4`	`0`	`0`	`0.000`
	*Average:*													`176.0`	`1.7`	`0.449`	`4`	`0`	`0`	`0.001`
6	`9`		B	`16`	`4`	`10005`	`x`	B	x-1/2,-y+1/2,-z	`4_455`	`27`	`9`	`10005`	`166.3`	`-1.8`	`0.448`	`0`	`0`	`0`	`0.000`
7	`10`		B	`16`	`4`	`10005`	`◊`	C	x-1/2,-y+1/2,-z	`4_455`	`17`	`6`	`10034`	`148.7`	`1.4`	`0.816`	`2`	`4`	`0`	`0.000`
8	`11`		C	`16`	`7`	`10034`	`◊`	B	x-1/2,-y+1/2,-z	`4_455`	`14`	`4`	`10005`	`129.9`	`0.8`	`0.751`	`1`	`0`	`0`	`0.000`
9	`12`		B	`18`	`6`	`10005`	`◊`	A	-x+1/2,-y,z-1/2	`2_554`	`16`	`6`	`8616`	`126.7`	`0.5`	`0.730`	`0`	`1`	`0`	`0.000`
10	`13`		C	`13`	`4`	`10034`	`◊`	B	-x,y-1/2,-z+1/2	`3_545`	`8`	`2`	`10005`	`100.9`	`-0.5`	`0.497`	`1`	`0`	`0`	`0.000`
11	`14`		[POP]C:1149	`9`	`1`	`261`	`f`	C	x,y,z	`1_555`	`15`	`7`	`10034`	`86.8`	`-0.6`	`0.545`	`9`	`0`	`0`	`0.059`
	`15`		[POP]B:1146	`9`	`1`	`263`	`f`	B	x,y,z	`1_555`	`15`	`7`	`10005`	`86.8`	`-0.7`	`0.541`	`10`	`0`	`0`	`0.059`
	*Average:*													`86.8`	`-0.6`	`0.543`	`10`	`0`	`0`	`0.059`
12	`16`		[POP]B:1146	`7`	`1`	`263`	`◊`	A	x,y,z	`1_555`	`19`	`8`	`8616`	`79.2`	`1.6`	`0.833`	`7`	`0`	`0`	`0.019`
	`17`		[POP]C:1149	`7`	`1`	`261`	`◊`	B	x,y,z	`1_555`	`20`	`9`	`10005`	`77.9`	`1.5`	`0.829`	`7`	`0`	`0`	`0.019`
	*Average:*													`78.5`	`1.6`	`0.831`	`7`	`0`	`0`	`0.019`
13	`18`		A	`4`	`2`	`8616`	`◊`	C	x-1/2,-y+1/2,-z	`4_455`	`12`	`5`	`10034`	`76.4`	`2.1`	`0.916`	`3`	`4`	`0`	`0.000`
14	`19`		B	`11`	`4`	`10005`	`◊`	[DUR]B:1145	x-1/2,-y+1/2,-z	`4_455`	`8`	`1`	`368`	`72.2`	`0.2`	`0.287`	`0`	`0`	`0`	`0.000`
15	`20`		C	`9`	`4`	`10034`	`x`	C	x-1/2,-y+1/2,-z	`4_455`	`6`	`3`	`10034`	`66.7`	`1.4`	`0.858`	`2`	`2`	`0`	`0.000`
16	`21`		[DUR]A:1132	`7`	`1`	`366`	`f`	C	x,y,z	`1_555`	`10`	`5`	`10034`	`62.8`	`0.9`	`0.488`	`1`	`0`	`0`	`0.000`
	`22`		[DUR]C:1148	`7`	`1`	`365`	`f`	B	x,y,z	`1_555`	`10`	`5`	`10005`	`59.9`	`0.8`	`0.485`	`1`	`0`	`0`	`0.000`
	*Average:*													`61.4`	`0.8`	`0.487`	`1`	`0`	`0`	`0.000`
17	`23`		[CL]A:1133	`1`	`1`	`125`	`f`	A	x,y,z	`1_555`	`9`	`5`	`8616`	`51.7`	`-6.8`	`0.000`	`0`	`0`	`0`	`0.100`
	`24`		[CL]C:1145	`1`	`1`	`125`	`f`	C	x,y,z	`1_555`	`8`	`5`	`10034`	`50.5`	`-7.1`	`0.000`	`0`	`0`	`0`	`0.100`
	*Average:*													`51.1`	`-7.0`	`0.000`	`0`	`0`	`0`	`0.100`
18	`25`		[DUR]B:1145	`4`	`1`	`368`	`f`	C	x,y,z	`1_555`	`2`	`1`	`10034`	`40.6`	`0.0`	`0.385`	`0`	`0`	`0`	`0.000`
19	`26`		[CL]C:1145	`1`	`1`	`125`	`◊`	B	x,y,z	`1_555`	`8`	`4`	`10005`	`36.8`	`-5.2`	`0.000`	`0`	`0`	`0`	`0.060`
	`27`		[CL]A:1133	`1`	`1`	`125`	`◊`	C	x,y,z	`1_555`	`8`	`4`	`10034`	`35.2`	`-4.8`	`0.000`	`0`	`0`	`0`	`0.060`
	*Average:*													`36.0`	`-5.0`	`0.000`	`0`	`0`	`0`	`0.060`
20	`28`		[POP]C:1149	`6`	`1`	`261`	`f`	[DUR]A:1132	x,y,z	`1_555`	`4`	`1`	`366`	`36.8`	`0.5`	`0.475`	`1`	`0`	`0`	`0.000`
	`29`		[POP]B:1146	`6`	`1`	`263`	`f`	[DUR]C:1148	x,y,z	`1_555`	`5`	`1`	`365`	`35.8`	`0.5`	`0.450`	`1`	`0`	`0`	`0.000`
	*Average:*													`36.3`	`0.5`	`0.463`	`1`	`0`	`0`	`0.000`
21	`30`		[MG]B:1147	`1`	`1`	`98`	`◊`	A	x,y,z	`1_555`	`12`	`5`	`8616`	`35.8`	`-3.1`	`0.000`	`0`	`0`	`0`	`0.037`
	`31`		[MG]C:1150	`1`	`1`	`98`	`◊`	B	x,y,z	`1_555`	`12`	`5`	`10005`	`34.4`	`-3.0`	`0.000`	`0`	`0`	`0`	`0.037`
	*Average:*													`35.1`	`-3.0`	`0.000`	`0`	`0`	`0`	`0.037`
22	`32`		[DUR]C:1148	`7`	`1`	`365`	`◊`	A	x,y,z	`1_555`	`4`	`2`	`8616`	`35.7`	`0.2`	`0.318`	`1`	`0`	`0`	`0.003`
	`33`		[DUR]A:1132	`8`	`1`	`366`	`◊`	B	x,y,z	`1_555`	`4`	`2`	`10005`	`32.6`	`0.2`	`0.299`	`1`	`0`	`0`	`0.003`
	*Average:*													`34.1`	`0.2`	`0.308`	`1`	`0`	`0`	`0.003`
23	`34`		B	`9`	`3`	`10005`	`◊`	C	-x+1,y-1/2,-z+1/2	`3_645`	`5`	`2`	`10034`	`34.4`	`0.5`	`0.718`	`0`	`0`	`0`	`0.000`
24	`35`		[MG]C:1150	`1`	`1`	`98`	`f`	[POP]C:1149	x,y,z	`1_555`	`5`	`1`	`261`	`27.3`	`-3.8`	`0.000`	`0`	`0`	`0`	`0.046`
	`36`		[MG]B:1147	`1`	`1`	`98`	`f`	[POP]B:1146	x,y,z	`1_555`	`5`	`1`	`263`	`26.8`	`-3.8`	`0.000`	`0`	`0`	`0`	`0.046`
	*Average:*													`27.0`	`-3.8`	`0.000`	`0`	`0`	`0`	`0.046`
25	`37`		C	`4`	`1`	`10034`	`◊`	[DUR]B:1145	x-1/2,-y+1/2,-z	`4_455`	`3`	`1`	`368`	`26.3`	`1.0`	`0.617`	`0`	`0`	`0`	`0.000`
26	`38`		[MG]C:1150	`1`	`1`	`98`	`f`	C	x,y,z	`1_555`	`4`	`2`	`10034`	`20.5`	`-1.2`	`0.000`	`0`	`0`	`0`	`0.015`
	`39`		[MG]B:1147	`1`	`1`	`98`	`f`	B	x,y,z	`1_555`	`4`	`2`	`10005`	`20.3`	`-1.3`	`0.000`	`0`	`0`	`0`	`0.015`
	*Average:*													`20.4`	`-1.2`	`0.000`	`0`	`0`	`0`	`0.015`
27	`40`		C	`3`	`1`	`10034`	`◊`	B	-x+1/2,-y,z-1/2	`2_554`	`2`	`2`	`10005`	`15.5`	`-0.1`	`0.528`	`0`	`0`	`0`	`0.000`
28	`41`		B	`3`	`2`	`10005`	`x`	B	-x+1/2,-y,z-1/2	`2_554`	`2`	`1`	`10005`	`12.5`	`-0.1`	`0.573`	`0`	`0`	`0`	`0.000`
29	`42`		B	`3`	`1`	`10005`	`f`	[PG4]A:1134	-x+1/2,-y,z-1/2	`2_554`	`3`	`1`	`400`	`12.3`	`0.1`	`0.387`	`0`	`0`	`0`	`0.000`
30	`43`		[CL]C:1145	`1`	`1`	`125`	`◊`	[CL]A:1133	x,y,z	`1_555`	`1`	`1`	`125`	`10.6`	`-2.1`	`0.000`	`0`	`0`	`0`	`0.013`
31	`44`		[MG]C:1150	`1`	`1`	`98`	`f`	[DUR]A:1132	x,y,z	`1_555`	`2`	`1`	`366`	`9.3`	`-0.8`	`0.000`	`0`	`0`	`0`	`0.008`
	`45`		[MG]B:1147	`1`	`1`	`98`	`f`	[DUR]C:1148	x,y,z	`1_555`	`2`	`1`	`365`	`8.7`	`-0.6`	`0.000`	`0`	`0`	`0`	`0.008`
	*Average:*													`9.0`	`-0.7`	`0.000`	`0`	`0`	`0`	`0.008`
32	`46`		[POP]C:1149	`1`	`1`	`261`	`◊`	A	x,y,z	`1_555`	`1`	`1`	`8616`	`6.0`	`-0.3`	`0.413`	`0`	`0`	`0`	`0.003`
	`47`		[POP]B:1146	`1`	`1`	`263`	`◊`	C	x,y,z	`1_555`	`1`	`1`	`10034`	`6.0`	`-0.3`	`0.411`	`0`	`0`	`0`	`0.003`
	*Average:*													`6.0`	`-0.3`	`0.412`	`0`	`0`	`0`	`0.003`
33	`48`		[MG]B:1147	`1`	`1`	`98`	`◊`	C	x,y,z	`1_555`	`1`	`1`	`10034`	`5.2`	`-0.4`	`0.000`	`0`	`0`	`0`	`0.005`
	`49`		[MG]C:1150	`1`	`1`	`98`	`◊`	A	x,y,z	`1_555`	`1`	`1`	`8616`	`5.0`	`-0.4`	`0.000`	`0`	`0`	`0`	`0.005`
	*Average:*													`5.1`	`-0.4`	`0.000`	`0`	`0`	`0`	`0.005`
34	`50`		C	`1`	`1`	`10034`	`x`	C	-x+1/2,-y,z-1/2	`2_554`	`1`	`1`	`10034`	`4.3`	`0.1`	`0.746`	`0`	`0`	`0`	`0.000`
35	`51`		[CL]A:1133	`1`	`1`	`125`	`◊`	B	x,y,z	`1_555`	`2`	`1`	`10005`	`1.5`	`-0.2`	`0.000`	`0`	`0`	`0`	`0.002`
	`52`		[CL]C:1145	`1`	`1`	`125`	`◊`	A	x,y,z	`1_555`	`1`	`1`	`8616`	`1.1`	`-0.1`	`0.000`	`0`	`0`	`0`	`0.002`
	*Average:*													`1.3`	`-0.1`	`0.000`	`0`	`0`	`0`	`0.002`
36	`53`		A	`2`	`2`	`8616`	`◊`	B	-x,y-1/2,-z+1/2	`3_545`	`2`	`2`	`10005`	`1.0`	`0.0`	`0.617`	`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