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Interfaces in PDB 4d46 crystal.
Space symmetry group: P 61 2 2. Resolution: 2.00 Å

CRYSTAL STRUCTURE OF E. COLI FABI IN COMPLEX WITH NAD AND 5- BROMO-2-(4-CHLORO-2-HYDROXYPHENOXY)BENZONITRILE

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	`178`	`44`	`11660`	`◊`	A	x,y,z	`1_555`	`180`	`44`	`11029`	`1653.7`	`-14.9`	`0.405`	`30`	`17`	`0`	`0.449`
2	`2`		A	`139`	`39`	`11029`	`◊`	A	-y,-x,-z-1/6	`10_554`	`137`	`39`	`11029`	`1323.0`	`-14.3`	`0.272`	`16`	`4`	`0`	`0.375`
	`3`		B	`135`	`38`	`11660`	`◊`	B	-y,-x,-z-1/6	`10_554`	`133`	`38`	`11660`	`1287.6`	`-16.9`	`0.181`	`12`	`4`	`0`	`0.375`
	*Average:*													`1305.3`	`-15.6`	`0.226`	`14`	`4`	`0`	`0.375`
3	`4`		[NAD]B:1257	`44`	`1`	`824`	`f`	B	x,y,z	`1_555`	`84`	`32`	`11660`	`567.2`	`-7.3`	`0.583`	`11`	`0`	`0`	`0.393`
	`5`		[NAD]A:1258	`41`	`1`	`819`	`f`	A	x,y,z	`1_555`	`75`	`29`	`11029`	`519.8`	`-6.1`	`0.598`	`10`	`0`	`0`	`0.393`
	*Average:*													`543.5`	`-6.7`	`0.591`	`11`	`0`	`0`	`0.393`
4	`6`		B	`47`	`15`	`11660`	`◊`	A	-y,-x,-z-1/6	`10_554`	`47`	`15`	`11029`	`521.8`	`-8.3`	`0.123`	`6`	`0`	`0`	`0.108`
5	`7`		B	`37`	`11`	`11660`	`◊`	A	-y,-x+1,-z-1/6	`10_564`	`32`	`12`	`11029`	`335.4`	`0.3`	`0.781`	`2`	`1`	`0`	`0.000`
6	`8`		B	`44`	`16`	`11660`	`◊`	A	x-y,-y+1,-z	`8_565`	`31`	`11`	`11029`	`330.2`	`1.4`	`0.809`	`4`	`0`	`0`	`0.000`
7	`9`		[J47]B:1258	`17`	`1`	`458`	`f`	B	x,y,z	`1_555`	`50`	`19`	`11660`	`275.9`	`-4.7`	`0.443`	`1`	`0`	`0`	`0.185`
	`10`		[J47]A:1259	`15`	`1`	`457`	`f`	A	x,y,z	`1_555`	`35`	`14`	`11029`	`213.5`	`-5.0`	`0.416`	`1`	`0`	`0`	`0.185`
	*Average:*													`244.7`	`-4.8`	`0.430`	`1`	`0`	`0`	`0.185`
8	`11`		[J47]A:1259	`13`	`1`	`457`	`f`	[NAD]A:1258	x,y,z	`1_555`	`20`	`1`	`819`	`130.8`	`-1.9`	`0.574`	`1`	`0`	`0`	`0.080`
	`12`		[J47]B:1258	`13`	`1`	`458`	`f`	[NAD]B:1257	x,y,z	`1_555`	`19`	`1`	`824`	`117.8`	`-1.7`	`0.575`	`1`	`0`	`0`	`0.080`
	*Average:*													`124.3`	`-1.8`	`0.575`	`1`	`0`	`0`	`0.080`
9	`13`		A	`9`	`2`	`11029`	`x`	A	x-y,-y+1,-z	`8_565`	`14`	`4`	`11029`	`98.1`	`0.1`	`0.698`	`2`	`0`	`0`	`0.000`

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

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Protein Data Bank in Europe

Bringing Structure to Biology

PDBePISA

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