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Interfaces in PDB 4jfi crystal.
Space symmetry group: P 21 21 21. Resolution: 1.05 Å

INCREASING THE EFFICIENCY EFFICIENCY OF LIGANDS FOR THE FK506-BINDING PROTEIN 51 BY CONFORMATIONAL CONTROL: COMPLEX OF FKBP51 WITH COMPOUND 1-[(9S,13R,13AR)-1,3-DIMETHOXY-8-OXO-5,8,9,10,11,12,13,13A-OCTAHYDRO- 6H-9,13-EPIMINOAZOCINO[2,1-A]ISOQUINOLIN-14-YL]-2-(3,4,5- TRIMETHOXYPHENYL)ETHANE-1,2-DIONE

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	`48`	`15`	`6815`	`x`	A	x-1/2,-y+1/2,-z	`4_455`	`49`	`15`	`6815`	`451.1`	`-0.7`	`0.550`	`9`	`2`	`0`	`0.000`
`2`		[1KT]A:201	`30`	`1`	`619`	`f`	A	x,y,z	`1_555`	`54`	`16`	`6815`	`360.0`	`-3.1`	`0.475`	`3`	`0`	`0`	`0.066`
`3`		A	`32`	`8`	`6815`	`x`	A	-x+1,y-1/2,-z-1/2	`3_644`	`39`	`13`	`6815`	`344.6`	`-1.7`	`0.484`	`5`	`2`	`0`	`0.000`
`4`		A	`19`	`6`	`6815`	`x`	A	-x+3/2,-y+1,z-1/2	`2_664`	`26`	`7`	`6815`	`215.0`	`-0.1`	`0.493`	`3`	`0`	`0`	`0.000`
`5`		[GOL]A:203	`6`	`1`	`218`	`f`	A	x,y,z	`1_555`	`16`	`7`	`6815`	`117.2`	`-0.6`	`0.495`	`2`	`0`	`0`	`0.022`
`6`		A	`12`	`4`	`6815`	`◊`	[DMS]A:202	x-1/2,-y+1/2,-z	`4_455`	`3`	`1`	`208`	`92.1`	`2.4`	`0.398`	`0`	`0`	`0`	`0.000`
`7`		[DMS]A:202	`4`	`1`	`208`	`f`	A	x,y,z	`1_555`	`10`	`4`	`6815`	`70.4`	`-0.3`	`0.254`	`1`	`0`	`0`	`0.011`
`8`		[GOL]A:203	`5`	`1`	`218`	`◊`	A	x-1/2,-y+1/2,-z	`4_455`	`7`	`2`	`6815`	`60.8`	`-0.6`	`0.466`	`1`	`0`	`0`	`0.000`
`9`		A	`6`	`3`	`6815`	`x`	A	-x+2,y-1/2,-z-1/2	`3_744`	`4`	`2`	`6815`	`54.6`	`-0.1`	`0.590`	`1`	`1`	`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