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Interfaces in PDB 6vvb crystal.
Space symmetry group: C 1 2 1. Resolution: 1.45 Å

MYCOBACTERIUM TUBERCULOSIS DIHYDROFOLATE REDUCTASE IN COMPLEX WITH 6- METHYL-5-(4-PHENYLTHIAZOL-2-YL)-2- (TRIFLUOROMETHYL)NICOTINIC ACID (FRAGMENT 10)

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`		[NAP]A:203	`47`	`1`	`931`	`f`	A	x,y,z	`1_555`	`89`	`30`	`8729`	`664.6`	`-3.9`	`0.506`	`23`	`0`	`0`	`0.061`
`2`		A	`53`	`19`	`8729`	`◊`	A	-x+1,y,-z+1	`2_656`	`53`	`19`	`8729`	`405.1`	`-5.4`	`0.284`	`8`	`0`	`0`	`0.000`
`3`		A	`39`	`14`	`8729`	`◊`	A	-x,y,-z	`2_555`	`39`	`14`	`8729`	`374.4`	`-0.6`	`0.615`	`9`	`6`	`0`	`0.000`
`4`		[RQ4]A:201	`25`	`1`	`540`	`f`	A	x,y,z	`1_555`	`35`	`14`	`8729`	`343.5`	`-3.1`	`0.613`	`5`	`0`	`0`	`0.023`
`5`		A	`31`	`7`	`8729`	`x`	A	-x+1/2,y-1/2,-z	`4_545`	`36`	`12`	`8729`	`309.5`	`-2.8`	`0.386`	`1`	`0`	`0`	`0.000`
`6`		[P33]A:202	`22`	`1`	`567`	`◊`	[P33]A:202	-x,y,-z	`2_555`	`22`	`1`	`567`	`222.3`	`-0.3`	`0.286`	`0`	`0`	`0`	`0.000`
`7`		A	`25`	`7`	`8729`	`x`	A	x,y,z-1	`1_554`	`21`	`6`	`8729`	`217.8`	`2.4`	`0.839`	`4`	`6`	`0`	`0.000`
`8`		[P33]A:202	`16`	`1`	`567`	`◊`	A	-x,y,-z	`2_555`	`25`	`10`	`8729`	`177.8`	`2.5`	`0.668`	`3`	`0`	`0`	`0.000`
`9`		[P33]A:202	`12`	`1`	`567`	`f`	A	x,y,z	`1_555`	`22`	`9`	`8729`	`157.6`	`-1.8`	`0.280`	`1`	`0`	`0`	`0.010`
`10`		A	`9`	`4`	`8729`	`◊`	[NAP]A:203	x,y,z-1	`1_554`	`7`	`1`	`931`	`68.9`	`0.3`	`0.634`	`3`	`0`	`0`	`0.000`
`11`		[NAP]A:203	`7`	`1`	`931`	`f`	[RQ4]A:201	x,y,z	`1_555`	`2`	`1`	`540`	`41.1`	`-1.4`	`0.311`	`0`	`0`	`0`	`0.006`
`12`		A	`2`	`1`	`8729`	`◊`	A	-x+1,y,-z	`2_655`	`2`	`1`	`8729`	`23.9`	`-0.8`	`0.181`	`0`	`0`	`0`	`0.000`
`13`		A	`4`	`2`	`8729`	`◊`	A	-x,y,-z+1	`2_556`	`4`	`2`	`8729`	`23.5`	`-0.6`	`0.366`	`0`	`0`	`0`	`0.000`

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

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