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Interfaces in PDB 5cge crystal.
Space symmetry group: P 1. Resolution: 1.62 Å

STRUCTURE OF HYDROXYETHYLTHIAZOLE KINASE THIM FROM STAPHYLOCOCCUS AUREUS IN COMPLEX WITH SUBSTRATE ANALOG 2-(2-METHYL-1H-IMIDAZOLE-1- YL)ETHANOL

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	`102`	`34`	`11767`	`◊`	D	x,y,z	`1_555`	`115`	`33`	`10617`	`980.9`	`-9.9`	`0.247`	`15`	`5`	`0`	`0.690`
	`2`		F	`108`	`30`	`11266`	`◊`	D	x,y,z	`1_555`	`96`	`31`	`10617`	`928.7`	`-8.7`	`0.294`	`14`	`5`	`0`	`0.690`
	`3`		B	`110`	`29`	`11448`	`◊`	A	x,y,z	`1_555`	`94`	`31`	`11049`	`926.2`	`-8.3`	`0.266`	`15`	`5`	`0`	`0.690`
	`4`		C	`92`	`30`	`10786`	`◊`	A	x,y,z	`1_555`	`110`	`29`	`11049`	`921.5`	`-8.1`	`0.237`	`15`	`5`	`0`	`0.690`
	`5`		F	`92`	`30`	`11266`	`◊`	E	x,y,z	`1_555`	`109`	`29`	`11767`	`918.0`	`-9.1`	`0.215`	`15`	`5`	`0`	`0.690`
	`6`		C	`107`	`28`	`10786`	`◊`	B	x,y,z	`1_555`	`93`	`31`	`11448`	`903.5`	`-8.2`	`0.225`	`18`	`5`	`0`	`0.690`
	*Average:*													`929.8`	`-8.7`	`0.247`	`15`	`5`	`0`	`0.690`
2	`7`		E	`47`	`13`	`11767`	`◊`	C	x,y,z-1	`1_554`	`49`	`16`	`10786`	`440.3`	`-3.9`	`0.313`	`4`	`0`	`0`	`0.000`
3	`8`		E	`37`	`9`	`11767`	`◊`	B	x,y,z-1	`1_554`	`52`	`16`	`11448`	`396.2`	`-2.3`	`0.490`	`3`	`5`	`0`	`0.000`
4	`9`		A	`50`	`14`	`11049`	`◊`	B	x,y-1,z	`1_545`	`43`	`13`	`11448`	`391.9`	`0.6`	`0.733`	`6`	`0`	`0`	`0.000`
	`10`		B	`44`	`14`	`11448`	`◊`	C	x-1,y,z	`1_455`	`43`	`13`	`10786`	`369.1`	`-0.4`	`0.648`	`5`	`0`	`0`	`0.000`
	`11`		D	`41`	`12`	`10617`	`◊`	F	x,y-1,z	`1_545`	`40`	`12`	`11266`	`358.5`	`0.3`	`0.749`	`6`	`0`	`0`	`0.000`
	*Average:*													`373.2`	`0.2`	`0.710`	`6`	`0`	`0`	`0.000`
5	`12`		A	`36`	`11`	`11049`	`◊`	F	x-1,y-1,z	`1_445`	`39`	`9`	`11266`	`369.2`	`-2.9`	`0.373`	`2`	`2`	`0`	`0.000`
6	`13`		C	`45`	`12`	`10786`	`◊`	B	x,y-1,z	`1_545`	`41`	`10`	`11448`	`355.5`	`-0.2`	`0.662`	`7`	`3`	`0`	`0.000`
	`14`		E	`42`	`13`	`11767`	`◊`	F	x,y-1,z	`1_545`	`29`	`8`	`11266`	`307.7`	`-1.7`	`0.505`	`4`	`2`	`0`	`0.000`
	`15`		A	`7`	`3`	`11049`	`◊`	C	x-1,y,z	`1_455`	`6`	`4`	`10786`	`33.4`	`0.4`	`0.690`	`0`	`0`	`0`	`0.000`
	*Average:*													`232.2`	`-0.5`	`0.619`	`4`	`2`	`0`	`0.000`
7	`16`		D	`14`	`4`	`10617`	`◊`	B	x,y,z	`1_555`	`17`	`5`	`11448`	`144.7`	`-0.2`	`0.613`	`1`	`1`	`0`	`0.000`
8	`17`		[51F]C:301	`9`	`1`	`291`	`f`	B	x,y,z	`1_555`	`17`	`8`	`11448`	`140.1`	`-2.9`	`0.543`	`1`	`0`	`0`	`0.044`
	`18`		[51F]D:301	`9`	`1`	`285`	`f`	E	x,y,z	`1_555`	`18`	`9`	`11767`	`137.5`	`-2.7`	`0.552`	`1`	`0`	`0`	`0.044`
	*Average:*													`138.8`	`-2.8`	`0.548`	`1`	`0`	`0`	`0.044`
9	`19`		[51F]D:302	`9`	`1`	`288`	`f`	D	x,y,z	`1_555`	`18`	`9`	`10617`	`138.4`	`-2.7`	`0.595`	`1`	`0`	`0`	`0.100`
	`20`		[51F]B:301	`9`	`1`	`286`	`f`	A	x,y,z	`1_555`	`17`	`9`	`11049`	`136.5`	`-3.3`	`0.519`	`0`	`0`	`0`	`0.100`
	`21`		[51F]A:301	`9`	`1`	`286`	`f`	C	x,y,z	`1_555`	`16`	`9`	`10786`	`136.2`	`-3.3`	`0.465`	`0`	`0`	`0`	`0.100`
	`22`		[51F]E:301	`8`	`1`	`287`	`f`	F	x,y,z	`1_555`	`16`	`10`	`11266`	`135.1`	`-3.3`	`0.507`	`0`	`0`	`0`	`0.100`
	*Average:*													`136.6`	`-3.2`	`0.521`	`0`	`0`	`0`	`0.100`
10	`23`		[51F]D:302	`4`	`1`	`288`	`◊`	F	x,y,z	`1_555`	`13`	`5`	`11266`	`79.9`	`-1.5`	`0.525`	`0`	`0`	`0`	`0.042`
	`24`		[51F]C:301	`5`	`1`	`291`	`◊`	C	x,y,z	`1_555`	`12`	`4`	`10786`	`78.7`	`-1.5`	`0.565`	`0`	`0`	`0`	`0.042`
	`25`		[51F]D:301	`5`	`1`	`285`	`◊`	D	x,y,z	`1_555`	`14`	`5`	`10617`	`78.7`	`-1.5`	`0.606`	`0`	`0`	`0`	`0.042`
	*Average:*													`79.1`	`-1.5`	`0.565`	`0`	`0`	`0`	`0.042`
11	`26`		[51F]E:301	`6`	`1`	`287`	`◊`	E	x,y,z	`1_555`	`14`	`5`	`11767`	`79.8`	`-1.4`	`0.644`	`0`	`0`	`0`	`0.030`
	`27`		[51F]B:301	`5`	`1`	`286`	`◊`	B	x,y,z	`1_555`	`12`	`4`	`11448`	`78.0`	`-1.5`	`0.571`	`0`	`0`	`0`	`0.030`
	`28`		[51F]A:301	`4`	`1`	`286`	`◊`	A	x,y,z	`1_555`	`12`	`4`	`11049`	`78.0`	`-1.4`	`0.547`	`0`	`0`	`0`	`0.030`
	*Average:*													`78.6`	`-1.4`	`0.588`	`0`	`0`	`0`	`0.030`
12	`29`		D	`6`	`3`	`10617`	`◊`	C	x,y,z	`1_555`	`11`	`3`	`10786`	`77.1`	`-1.1`	`0.333`	`0`	`0`	`0`	`0.000`
13	`30`		D	`9`	`5`	`10617`	`◊`	A	x,y,z	`1_555`	`7`	`3`	`11049`	`73.5`	`-0.8`	`0.428`	`0`	`0`	`0`	`0.000`
14	`31`		[MG]B:302	`1`	`1`	`98`	`f`	B	x,y,z	`1_555`	`18`	`9`	`11448`	`60.2`	`-7.3`	`0.000`	`0`	`0`	`0`	`0.238`
	`32`		[MG]A:302	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`17`	`9`	`11049`	`59.9`	`-7.0`	`0.000`	`0`	`0`	`0`	`0.238`
	`33`		[MG]E:302	`1`	`1`	`98`	`f`	E	x,y,z	`1_555`	`17`	`9`	`11767`	`54.8`	`-8.2`	`0.000`	`0`	`0`	`0`	`0.238`
	`34`		[MG]C:302	`1`	`1`	`98`	`f`	C	x,y,z	`1_555`	`15`	`8`	`10786`	`53.3`	`-8.4`	`0.000`	`0`	`0`	`0`	`0.238`
	*Average:*													`57.1`	`-7.7`	`0.000`	`0`	`0`	`0`	`0.238`
15	`35`		[MG]C:303	`1`	`1`	`98`	`f`	C	x,y,z	`1_555`	`1`	`1`	`10786`	`49.0`	`-9.8`	`0.000`	`0`	`0`	`0`	`0.102`
16	`36`		A	`1`	`1`	`11049`	`◊`	F	x,y-1,z	`1_545`	`2`	`2`	`11266`	`4.6`	`0.0`	`0.633`	`0`	`0`	`0`	`0.000`
17	`37`		[MG]B:302	`1`	`1`	`98`	`f`	[51F]C:301	x,y,z	`1_555`	`1`	`1`	`291`	`4.5`	`-0.4`	`0.000`	`0`	`0`	`0`	`0.006`
	`38`		[MG]A:302	`1`	`1`	`98`	`f`	[51F]B:301	x,y,z	`1_555`	`1`	`1`	`286`	`1.9`	`-0.2`	`0.000`	`0`	`0`	`0`	`0.006`
	*Average:*													`3.2`	`-0.3`	`0.000`	`0`	`0`	`0`	`0.006`

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

Protein Data Bank
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Bringing Structure to Biology

PDBePISA

Protein Data Bank in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank
in Europe