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Interfaces in PDB 2qb2 crystal.
Space symmetry group: C 2 2 21. Resolution: 1.70 Å

STRUCTURAL STUDIES REVEAL THE INACTIVATION OF E. COLI L-ASPARTATE AMINOTRANSFERASE BY (S)-4,5-DIHYDRO-2THIOPHENECARBOYLIC ACID (SADTA) VIA TWO MECHANISMS (AT PH 7.0).

Interfaces

##		Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
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`		A	`313`	`82`	`17461`	`◊`	A	x,-y,-z	`4_555`	`313`	`82`	`17461`	`2901.1`	`-19.8`	`0.148`	`54`	`14`	`0`	`0.304`
`2`		A	`48`	`16`	`17461`	`x`	A	-x+1/2,y-1/2,-z-1/2	`7_544`	`46`	`15`	`17461`	`370.9`	`0.0`	`0.627`	`3`	`1`	`0`	`0.000`
`3`		A	`32`	`10`	`17461`	`◊`	A	-x,y,-z-1/2	`3_554`	`32`	`10`	`17461`	`302.3`	`-4.8`	`0.130`	`0`	`0`	`0`	`0.000`
`4`		A	`33`	`10`	`17461`	`x`	A	-x+1/2,-y+1/2,z-1/2	`6_554`	`26`	`6`	`17461`	`260.7`	`-1.9`	`0.381`	`3`	`2`	`0`	`0.000`
`5`		[PSZ]A:600	`24`	`1`	`528`	`cf`	A	x,y,z	`1_555`	`53`	`19`	`17461`	`234.9`	`-0.6`	`0.676`	`11`	`0`	`0`	`0.072`
`6`		[PMP]A:700	`16`	`1`	`385`	`f`	A	x,y,z	`1_555`	`45`	`14`	`17461`	`156.6`	`0.6`	`0.611`	`8`	`0`	`0`	`0.038`
`7`		[GOL]A:709	`6`	`1`	`222`	`f`	A	x,y,z	`1_555`	`24`	`10`	`17461`	`142.5`	`0.1`	`0.630`	`3`	`0`	`0`	`0.016`
`8`		[GOL]A:703	`6`	`1`	`215`	`f`	A	x,y,z	`1_555`	`14`	`7`	`17461`	`124.4`	`-0.7`	`0.477`	`1`	`0`	`0`	`0.016`
`9`		A	`14`	`5`	`17461`	`◊`	A	x,-y,-z-1	`4_554`	`14`	`5`	`17461`	`123.0`	`0.6`	`0.695`	`2`	`0`	`0`	`0.000`
`10`		[GOL]A:704	`6`	`1`	`217`	`f`	A	x,y,z	`1_555`	`23`	`9`	`17461`	`121.4`	`-1.0`	`0.420`	`3`	`0`	`0`	`0.031`
`11`		[PMP]A:700	`16`	`1`	`385`	`f`	[PSZ]A:600	x,y,z	`1_555`	`20`	`1`	`528`	`116.5`	`0.1`	`0.623`	`1`	`0`	`0`	`0.005`
`12`		[GOL]A:705	`6`	`1`	`219`	`f`	A	x,y,z	`1_555`	`18`	`7`	`17461`	`115.3`	`0.0`	`0.590`	`2`	`0`	`0`	`0.011`
`13`		[GOL]A:901	`6`	`1`	`218`	`f`	A	x,y,z	`1_555`	`21`	`10`	`17461`	`114.7`	`-0.3`	`0.548`	`1`	`0`	`0`	`0.009`
`14`		[GOL]A:707	`6`	`1`	`218`	`f`	A	x,y,z	`1_555`	`20`	`5`	`17461`	`112.4`	`-1.7`	`0.316`	`1`	`0`	`0`	`0.029`
`15`		[GOL]A:702	`6`	`1`	`220`	`cf`	A	x,y,z	`1_555`	`15`	`6`	`17461`	`110.7`	`-0.1`	`0.533`	`2`	`0`	`0`	`0.013`
`16`		[GOL]A:900	`6`	`1`	`220`	`f`	A	x,y,z	`1_555`	`17`	`8`	`17461`	`104.2`	`0.5`	`0.654`	`5`	`0`	`0`	`0.022`
`17`		[GOL]A:701	`6`	`1`	`213`	`f`	A	x,y,z	`1_555`	`14`	`5`	`17461`	`92.3`	`-0.5`	`0.498`	`2`	`0`	`0`	`0.018`
`18`		[GOL]A:902	`6`	`1`	`217`	`◊`	A	x,-y,-z	`4_555`	`18`	`7`	`17461`	`86.2`	`-0.3`	`0.508`	`1`	`0`	`0`	`0.010`
`19`		[GOL]A:708	`5`	`1`	`220`	`f`	A	x,y,z	`1_555`	`15`	`5`	`17461`	`83.2`	`-0.5`	`0.481`	`0`	`0`	`0`	`0.006`
`20`		[GOL]A:706	`5`	`1`	`220`	`f`	A	x,y,z	`1_555`	`13`	`5`	`17461`	`82.5`	`-0.5`	`0.437`	`1`	`0`	`0`	`0.012`
`21`		[PSZ]A:600	`12`	`1`	`528`	`◊`	A	x,-y,-z	`4_555`	`10`	`4`	`17461`	`63.5`	`-1.8`	`0.444`	`1`	`0`	`0`	`0.030`
`22`		[SO4]A:1001	`5`	`1`	`186`	`f`	A	x,y,z	`1_555`	`8`	`3`	`17461`	`63.4`	`-8.0`	`0.790`	`2`	`0`	`0`	`0.118`
`23`		[SO4]A:1002	`4`	`1`	`186`	`f`	A	x,y,z	`1_555`	`7`	`6`	`17461`	`58.8`	`-8.1`	`0.616`	`2`	`0`	`0`	`0.119`
`24`		[GOL]A:706	`6`	`1`	`220`	`◊`	A	-x+1/2,-y+1/2,z-1/2	`6_554`	`7`	`2`	`17461`	`57.5`	`-0.0`	`0.580`	`1`	`0`	`0`	`0.000`
`25`		[GOL]A:902	`5`	`1`	`217`	`f`	A	x,y,z	`1_555`	`9`	`3`	`17461`	`51.6`	`0.9`	`0.811`	`0`	`0`	`0`	`0.000`
`26`		[GOL]A:708	`4`	`1`	`220`	`f`	[GOL]A:701	x,y,z	`1_555`	`2`	`1`	`213`	`42.7`	`-0.0`	`0.552`	`1`	`0`	`0`	`0.006`
`27`		[GOL]A:900	`4`	`1`	`220`	`f`	[GOL]A:702	x,y,z	`1_555`	`3`	`1`	`220`	`39.6`	`0.1`	`0.553`	`0`	`0`	`0`	`0.000`
`28`		[GOL]A:902	`4`	`1`	`217`	`f`	[PSZ]A:600	x,y,z	`1_555`	`5`	`1`	`528`	`35.8`	`-0.6`	`0.515`	`1`	`0`	`0`	`0.014`
`29`		[PMP]A:700	`7`	`1`	`385`	`◊`	A	x,-y,-z	`4_555`	`6`	`3`	`17461`	`33.5`	`-1.2`	`0.355`	`2`	`0`	`0`	`0.028`
`30`		[GOL]A:900	`2`	`1`	`220`	`f`	[SO4]A:1002	x,y,z	`1_555`	`3`	`1`	`186`	`28.3`	`-2.5`	`0.863`	`1`	`0`	`0`	`0.040`
`31`		[GOL]A:702	`4`	`1`	`220`	`f`	[SO4]A:1002	x,y,z	`1_555`	`1`	`1`	`186`	`19.0`	`-2.8`	`0.631`	`0`	`0`	`0`	`0.037`
`32`		[SO4]A:1002	`1`	`1`	`186`	`◊`	A	-x,y,-z-1/2	`3_554`	`2`	`1`	`17461`	`13.3`	`-1.1`	`0.855`	`0`	`0`	`0`	`0.000`
`33`		[GOL]A:705	`1`	`1`	`219`	`f`	[SO4]A:1002	x,y,z	`1_555`	`1`	`1`	`186`	`6.1`	`-0.7`	`0.632`	`0`	`0`	`0`	`0.009`
`34`		[GOL]A:902	`2`	`1`	`217`	`f`	[PMP]A:700	x,y,z	`1_555`	`2`	`1`	`385`	`5.9`	`-0.1`	`0.475`	`0`	`0`	`0`	`0.002`
`35`		[GOL]A:708	`2`	`1`	`220`	`◊`	A	x,-y,-z	`4_555`	`1`	`1`	`17461`	`2.3`	`0.1`	`0.685`	`0`	`0`	`0`	`0.000`

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