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Interfaces in PDB 3qv4 crystal.
Space symmetry group: I 2 2 2. Resolution: 2.70 Å

CRYSTAL STRUCTURE OF THE COMPLEX OF PEPTIDOGLYCAN RECOGNITION PROTEIN (PGRP-S) WITH DIPEPTIDE L-ALA D-GLU AT 2.7 A RESOLUTION

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`		D	`99`	`28`	`8575`	`◊`	D	-x,-y-1,z	`2_545`	`99`	`28`	`8575`	`959.3`	`-7.3`	`0.217`	`6`	`6`	`0`	`0.044`
	`2`		B	`88`	`25`	`8554`	`◊`	A	x,y,z	`1_555`	`80`	`23`	`8506`	`766.4`	`-4.2`	`0.371`	`11`	`7`	`0`	`0.044`
	`3`		C	`81`	`25`	`8404`	`◊`	C	x,-y,-z	`4_555`	`81`	`25`	`8404`	`748.5`	`-4.4`	`0.354`	`10`	`8`	`0`	`0.044`
	*Average:*													`824.7`	`-5.3`	`0.314`	`9`	`7`	`0`	`0.044`
2	`4`		D	`66`	`23`	`8575`	`◊`	C	x,y,z	`1_555`	`71`	`24`	`8404`	`575.9`	`-6.8`	`0.163`	`9`	`0`	`0`	`0.509`
3	`5`		D	`45`	`18`	`8575`	`◊`	A	-x-1/2,y-1/2,-z-1/2	`7_444`	`40`	`12`	`8506`	`362.1`	`-0.3`	`0.533`	`4`	`2`	`0`	`0.000`
	`6`		B	`41`	`11`	`8554`	`◊`	C	-x-1/2,y-1/2,-z-1/2	`7_444`	`43`	`18`	`8404`	`361.0`	`1.8`	`0.755`	`5`	`1`	`0`	`0.000`
	*Average:*													`361.6`	`0.8`	`0.644`	`5`	`2`	`0`	`0.000`
4	`7`		C	`36`	`12`	`8404`	`◊`	A	x,y,z	`1_555`	`41`	`13`	`8506`	`358.5`	`2.7`	`0.788`	`7`	`2`	`0`	`0.000`
5	`8`		[CTO]B:2735	`27`	`1`	`821`	`f`	B	x,y,z	`1_555`	`38`	`16`	`8554`	`316.5`	`-9.4`	`0.359`	`2`	`0`	`0`	`0.100`
6	`9`		B	`23`	`8`	`8554`	`◊`	C	-x-1/2,-y-1/2,z-1/2	`6_444`	`34`	`10`	`8404`	`238.3`	`0.6`	`0.670`	`5`	`0`	`0`	`0.000`
	`10`		A	`24`	`9`	`8506`	`◊`	D	x-1/2,-y-1/2,-z-1/2	`8_444`	`31`	`8`	`8575`	`235.5`	`0.5`	`0.645`	`6`	`0`	`0`	`0.000`
	*Average:*													`236.9`	`0.6`	`0.657`	`6`	`0`	`0`	`0.000`
7	`11`		C	`23`	`8`	`8404`	`◊`	B	x-1/2,-y-1/2,-z-1/2	`8_444`	`33`	`14`	`8554`	`229.2`	`-0.8`	`0.503`	`2`	`1`	`0`	`0.000`
8	`12`		A	`33`	`9`	`8506`	`◊`	B	x-1/2,-y-1/2,-z-1/2	`8_444`	`26`	`10`	`8554`	`203.1`	`-0.8`	`0.513`	`3`	`1`	`0`	`0.000`
9	`13`		B	`26`	`9`	`8554`	`◊`	B	-x,-y-1,z	`2_545`	`26`	`9`	`8554`	`175.8`	`-0.8`	`0.510`	`0`	`0`	`0`	`0.000`
10	`14`		[PEG]B:6073	`7`	`1`	`261`	`◊`	B	x,y,z	`1_555`	`16`	`6`	`8554`	`129.9`	`1.5`	`0.220`	`0`	`0`	`0`	`0.000`
11	`15`		B	`10`	`4`	`8554`	`◊`	A	-x-1/2,y-1/2,-z-1/2	`7_444`	`12`	`4`	`8506`	`115.5`	`-0.1`	`0.406`	`1`	`0`	`0`	`0.000`
12	`16`		[GOL]A:175	`6`	`1`	`221`	`f`	A	x,y,z	`1_555`	`21`	`7`	`8506`	`112.8`	`-1.4`	`0.406`	`0`	`0`	`0`	`0.042`
13	`17`		D	`14`	`4`	`8575`	`◊`	C	-x,y,-z	`3_555`	`10`	`4`	`8404`	`103.6`	`2.9`	`0.910`	`1`	`0`	`0`	`0.000`
14	`18`		[GOL]D:503	`6`	`1`	`220`	`f`	D	x,y,z	`1_555`	`17`	`9`	`8575`	`102.3`	`-0.7`	`0.448`	`0`	`0`	`0`	`0.034`
15	`19`		[GOL]A:172	`5`	`1`	`221`	`f`	A	x,y,z	`1_555`	`14`	`8`	`8506`	`102.3`	`-1.2`	`0.321`	`3`	`0`	`0`	`0.076`
16	`20`		[SRT]D:172	`10`	`1`	`267`	`f`	D	x,y,z	`1_555`	`16`	`7`	`8575`	`101.0`	`-1.9`	`0.203`	`2`	`0`	`0`	`0.132`
17	`21`		[SRT]D:172	`9`	`1`	`267`	`◊`	C	x,y,z	`1_555`	`16`	`7`	`8404`	`98.0`	`-0.3`	`0.263`	`5`	`0`	`0`	`0.119`
18	`22`		[GOL]A:174	`5`	`1`	`220`	`f`	D	x,y,z	`1_555`	`8`	`4`	`8575`	`84.5`	`-1.3`	`0.275`	`0`	`0`	`0`	`0.062`
19	`23`		C	`8`	`4`	`8404`	`◊`	C	-x,y,-z	`3_555`	`8`	`4`	`8404`	`79.1`	`-0.2`	`0.542`	`0`	`0`	`0`	`0.000`
	`24`		D	`9`	`6`	`8575`	`◊`	D	-x,y,-z	`3_555`	`9`	`6`	`8575`	`51.1`	`0.4`	`0.673`	`0`	`0`	`0`	`0.000`
	*Average:*													`65.1`	`0.1`	`0.607`	`0`	`0`	`0`	`0.000`
20	`25`		C	`12`	`5`	`8404`	`◊`	C	-x,-y,z	`2_555`	`12`	`5`	`8404`	`76.8`	`0.3`	`0.650`	`0`	`0`	`0`	`0.000`
21	`26`		D	`9`	`4`	`8575`	`◊`	B	x,y,z	`1_555`	`9`	`3`	`8554`	`75.8`	`0.9`	`0.746`	`1`	`0`	`0`	`0.000`
22	`27`		D	`10`	`4`	`8575`	`◊`	A	x,y,z	`1_555`	`8`	`3`	`8506`	`70.9`	`0.9`	`0.614`	`1`	`0`	`0`	`0.000`
23	`28`		[GOL]A:174	`6`	`1`	`220`	`◊`	A	x,y,z	`1_555`	`9`	`3`	`8506`	`68.9`	`-0.3`	`0.578`	`1`	`0`	`0`	`0.000`
24	`29`		[CTO]B:2735	`10`	`1`	`821`	`◊`	C	-x-1/2,y-1/2,-z-1/2	`7_444`	`6`	`2`	`8404`	`64.4`	`-1.8`	`0.471`	`0`	`0`	`0`	`0.000`
25	`30`		[GOL]D:503	`6`	`1`	`220`	`◊`	C	x,y,z	`1_555`	`13`	`3`	`8404`	`58.8`	`-0.2`	`0.540`	`2`	`0`	`0`	`0.049`
26	`31`		[CTO]B:2735	`4`	`1`	`821`	`◊`	[CTO]B:2735	-x,y,-z-1	`3_554`	`4`	`1`	`821`	`55.1`	`-4.6`	`0.298`	`0`	`0`	`0`	`0.000`
27	`32`		[EDO]A:3318	`4`	`1`	`185`	`f`	A	x,y,z	`1_555`	`9`	`3`	`8506`	`53.7`	`0.3`	`0.558`	`1`	`0`	`0`	`0.005`
28	`33`		[GOL]A:173	`5`	`1`	`221`	`f`	A	x,y,z	`1_555`	`7`	`4`	`8506`	`50.1`	`-0.5`	`0.447`	`0`	`0`	`0`	`0.014`
29	`34`		[PEG]B:6073	`4`	`1`	`261`	`◊`	D	x,y,z	`1_555`	`4`	`2`	`8575`	`44.9`	`1.8`	`0.419`	`0`	`0`	`0`	`0.000`
30	`35`		[CTO]B:2735	`4`	`1`	`821`	`◊`	C	-x-1/2,-y-1/2,z-1/2	`6_444`	`6`	`3`	`8404`	`34.4`	`0.6`	`0.848`	`0`	`0`	`0`	`0.000`
31	`36`		[SRT]D:172	`4`	`1`	`267`	`f`	[GOL]D:503	x,y,z	`1_555`	`3`	`1`	`220`	`34.0`	`-1.1`	`0.267`	`2`	`0`	`0`	`0.095`
32	`37`		D	`4`	`2`	`8575`	`◊`	[GOL]A:173	-x-1/2,y-1/2,-z-1/2	`7_444`	`3`	`1`	`221`	`23.2`	`-0.1`	`0.577`	`0`	`0`	`0`	`0.000`
33	`38`		[PEG]B:6073	`3`	`1`	`261`	`f`	[EDO]A:3318	x,y,z	`1_555`	`3`	`1`	`185`	`20.3`	`1.1`	`0.455`	`0`	`0`	`0`	`0.000`
34	`39`		[PEG]B:6073	`2`	`1`	`261`	`f`	A	x,y,z	`1_555`	`1`	`1`	`8506`	`9.0`	`0.1`	`0.208`	`0`	`0`	`0`	`0.000`
35	`40`		D	`2`	`1`	`8575`	`◊`	[GOL]A:175	-x-1/2,y-1/2,-z-1/2	`7_444`	`1`	`1`	`221`	`4.1`	`-0.0`	`0.484`	`0`	`0`	`0`	`0.000`
36	`41`		[EDO]A:3318	`1`	`1`	`185`	`◊`	D	x,y,z	`1_555`	`2`	`2`	`8575`	`1.8`	`0.1`	`0.793`	`0`	`0`	`0`	`0.000`
37	`42`		[EDO]A:3318	`1`	`1`	`185`	`◊`	B	x,y,z	`1_555`	`1`	`1`	`8554`	`0.4`	`-0.0`	`0.767`	`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