PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=379-H6-MBF)

Interfaces in PDB 3r4m crystal.
Space symmetry group: P 1 21 1. Resolution: 1.70 Å

OPTIMIZATION OF POTENT, SELECTIVE, AND ORALLY BIOAVAILABLE PYRROLODINOPYRIMIDINE-CONTAINING INHIBITORS OF HEAT SHOCK PROTEIN 90. IDENTIFICATION OF DEVELOPMENT CANDIDATE 2-AMINO-4-{4-CHLORO-2-[2-(4- FLUORO-1H-PYRAZOL-1-YL)ETHOXY]-6-METHYLPHENYL}-N-(2,2- DIFLUOROPROPYL)-5,7-DIHYDRO-6H-PYRROLO[3,4-D]PYRIMIDINE-6-CARBOXAMIDE

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	`74`	`19`	`11288`	`x`	A	-x+3,y-1/2,-z+3	`2_848`	`65`	`15`	`11288`	`623.0`	`-6.3`	`0.247`	`9`	`1`	`0`	`0.000`
`2`		[WOE]A:501	`16`	`1`	`409`	`f`	A	x,y,z	`1_555`	`38`	`15`	`11288`	`276.1`	`-1.2`	`0.446`	`3`	`0`	`0`	`0.100`
`3`		A	`9`	`4`	`11288`	`x`	A	x,y-1,z	`1_545`	`8`	`5`	`11288`	`77.3`	`-0.2`	`0.497`	`1`	`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