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Session Map (id=676-H2-M54)

Interfaces in PDB 4otq crystal.
Space symmetry group: P 21 21 2. Resolution: 1.55 Å

CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH 1-[5-[3-(7-TERT- BUTYL-4-OXO-QUINAZOLIN-3-YL)-2-METHYL-PHENYL]-1-METHYL-2-OXO-3- PYRIDYL]-3-METHYL-UREA

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	`66`	`17`	`12847`	`x`	A	x,y,z-1	`1_554`	`71`	`23`	`12847`	`612.6`	`-2.9`	`0.479`	`7`	`4`	`0`	`0.000`
`2`		[2V2]A:701	`33`	`1`	`732`	`f`	A	x,y,z	`1_555`	`70`	`30`	`12847`	`508.0`	`0.4`	`0.512`	`4`	`0`	`0`	`0.000`
`3`		A	`41`	`12`	`12847`	`x`	A	x-1/2,-y+1/2,-z	`3_455`	`34`	`11`	`12847`	`345.3`	`-2.1`	`0.442`	`4`	`5`	`0`	`0.000`
`4`		A	`32`	`10`	`12847`	`x`	A	-x+1/2,y-1/2,-z	`4_545`	`30`	`12`	`12847`	`263.4`	`-1.0`	`0.537`	`3`	`3`	`0`	`0.000`
`5`		[DMS]A:702	`4`	`1`	`206`	`◊`	A	x,y,z	`1_555`	`27`	`13`	`12847`	`124.8`	`3.0`	`0.603`	`0`	`0`	`0`	`0.000`
`6`		[DMS]A:703	`4`	`1`	`206`	`◊`	A	x,y,z	`1_555`	`25`	`8`	`12847`	`109.5`	`1.9`	`0.435`	`0`	`0`	`0`	`0.000`
`7`		A	`10`	`4`	`12847`	`◊`	A	-x+1,-y,z	`2_655`	`10`	`4`	`12847`	`80.0`	`0.4`	`0.694`	`0`	`0`	`0`	`0.000`
`8`		A	`11`	`3`	`12847`	`x`	A	-x+1/2,y-1/2,-z+1	`4_546`	`8`	`3`	`12847`	`76.6`	`0.8`	`0.752`	`1`	`2`	`0`	`0.000`
`9`		A	`5`	`3`	`12847`	`f`	[DMS]A:703	x,y,z-1	`1_554`	`2`	`1`	`206`	`35.8`	`0.7`	`0.470`	`0`	`0`	`0`	`0.000`
`10`		[DMS]A:703	`3`	`1`	`206`	`f`	[DMS]A:702	x,y,z	`1_555`	`2`	`1`	`206`	`20.3`	`0.9`	`0.298`	`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

Protein Data Bank
in Europe