PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=514-5P-2F4)

Interfaces in PDB 2vtr crystal.
Space symmetry group: P 21 21 21. Resolution: 1.90 Å

IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6- DICHLOROBENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT- BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN.

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	`82`	`24`	`14235`	`x`	A	-x+3/2,-y,z-1/2	`2_654`	`77`	`23`	`14235`	`752.5`	`-2.3`	`0.486`	`6`	`8`	`0`	`0.000`
`2`		A	`61`	`15`	`14235`	`x`	A	-x+1/2,-y,z-1/2	`2_554`	`76`	`23`	`14235`	`653.7`	`-2.4`	`0.562`	`5`	`4`	`0`	`0.000`
`3`		A	`58`	`19`	`14235`	`x`	A	x-1/2,-y+1/2,-z+1	`4_456`	`53`	`15`	`14235`	`534.4`	`-3.1`	`0.365`	`7`	`2`	`0`	`0.000`
`4`		A	`39`	`10`	`14235`	`x`	A	-x+1,y-1/2,-z+3/2	`3_646`	`34`	`10`	`14235`	`294.9`	`-0.3`	`0.616`	`2`	`3`	`0`	`0.000`
`5`		[LZB]A:1299	`16`	`1`	`422`	`f`	A	x,y,z	`1_555`	`41`	`18`	`14235`	`282.4`	`-1.1`	`0.465`	`2`	`0`	`0`	`0.100`
`6`		A	`1`	`1`	`14235`	`x`	A	x-1,y,z	`1_455`	`1`	`1`	`14235`	`0.6`	`-0.0`	`0.628`	`0`	`0`	`0`	`0.000`

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

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PDBePISA

Protein Data Bank in Europe

Bringing Structure to Biology

PDBePISA

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