PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=699-DO-33L)

Interfaces in PDB 2vto crystal.
Space symmetry group: P 21 21 21. Resolution: 2.19 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	`78`	`26`	`14232`	`x`	A	-x+3/2,-y,z-1/2	`2_654`	`77`	`22`	`14232`	`711.6`	`-1.8`	`0.640`	`10`	`9`	`0`	`0.000`
`2`		A	`59`	`17`	`14232`	`x`	A	-x+1/2,-y,z-1/2	`2_554`	`60`	`21`	`14232`	`545.1`	`-2.7`	`0.474`	`5`	`2`	`0`	`0.000`
`3`		A	`59`	`20`	`14232`	`x`	A	x-1/2,-y+1/2,-z+1	`4_456`	`52`	`14`	`14232`	`529.8`	`-2.3`	`0.443`	`8`	`3`	`0`	`0.000`
`4`		[LZ8]A:1299	`24`	`1`	`532`	`f`	A	x,y,z	`1_555`	`50`	`20`	`14232`	`368.9`	`-1.3`	`0.365`	`3`	`0`	`0`	`0.100`
`5`		A	`28`	`11`	`14232`	`x`	A	-x+1,y-1/2,-z+3/2	`3_646`	`26`	`10`	`14232`	`200.6`	`1.0`	`0.777`	`2`	`4`	`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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