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Interfaces in PDB 4qmp crystal.
Space symmetry group: C 1 2 1. Resolution: 2.00 Å

MST3 IN COMPLEX WITH CDK1/2 INHIBITOR III, 5-AMINO-3-{[4- (AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4- TRIAZOLE-1-CARBOTHIOAMIDE

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	`70`	`19`	`14113`	`x`	A	-x+1/2,y-1/2,-z+3	`4_548`	`57`	`14`	`14113`	`578.0`	`-7.9`	`0.090`	`3`	`1`	`0`	`0.000`
`2`		A	`54`	`21`	`14113`	`x`	A	-x+1/2,y-1/2,-z+2	`4_547`	`65`	`21`	`14113`	`490.0`	`-0.6`	`0.569`	`4`	`0`	`0`	`0.000`
`3`		[DKI]A:402	`28`	`1`	`618`	`f`	A	x,y,z	`1_555`	`55`	`22`	`14113`	`419.5`	`-4.6`	`0.353`	`5`	`0`	`0`	`0.107`
`4`		A	`30`	`10`	`14113`	`◊`	A	-x,y,-z+2	`2_557`	`30`	`10`	`14113`	`223.0`	`0.9`	`0.696`	`2`	`0`	`0`	`0.000`
`5`		A	`23`	`9`	`14113`	`x`	A	x-1/2,y+1/2,z	`3_455`	`24`	`6`	`14113`	`181.8`	`1.2`	`0.715`	`4`	`3`	`0`	`0.000`
`6`		[EDO]A:401	`4`	`1`	`185`	`◊`	A	x,y,z	`1_555`	`10`	`4`	`14113`	`80.8`	`3.1`	`0.330`	`1`	`0`	`0`	`0.000`
`7`		[EDO]A:401	`3`	`1`	`185`	`◊`	A	-x,y,-z+2	`2_557`	`11`	`4`	`14113`	`60.7`	`1.7`	`0.277`	`1`	`0`	`0`	`0.000`
`8`		A	`6`	`3`	`14113`	`◊`	A	-x+1,y,-z+3	`2_658`	`6`	`3`	`14113`	`30.0`	`1.0`	`0.808`	`0`	`0`	`0`	`0.000`
`9`		A	`3`	`3`	`14113`	`f`	[EDO]A:401	-x+1/2,y-1/2,-z+2	`4_547`	`2`	`1`	`185`	`19.9`	`0.5`	`0.799`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe