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Interfaces in PDB 1c5o crystal.
Space symmetry group: C 1 2 1. Resolution: 1.90 Å

STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB- MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR

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`		H	`156`	`46`	`12004`	`◊`	L	x,y,z	`1_555`	`125`	`30`	`3532`	`1335.0`	`-13.2`	`0.270`	`20`	`9`	`1`	`0.775`
`2`		I	`59`	`10`	`1651`	`◊`	H	x,y,z	`1_555`	`70`	`18`	`12004`	`632.2`	`-5.5`	`0.285`	`5`	`2`	`0`	`0.050`
`3`		H	`34`	`9`	`12004`	`◊`	H	-x,y,-z	`2_555`	`34`	`9`	`12004`	`370.7`	`0.7`	`0.590`	`1`	`2`	`0`	`0.000`
`4`		H	`35`	`10`	`12004`	`x`	H	-x+1/2,y-1/2,-z+1	`4_546`	`26`	`6`	`12004`	`247.7`	`-2.0`	`0.200`	`0`	`0`	`0`	`0.000`
`5`		L	`26`	`6`	`3532`	`◊`	L	-x,y,-z+1	`2_556`	`27`	`6`	`3532`	`225.4`	`0.7`	`0.876`	`0`	`0`	`0`	`0.000`
`6`		L	`21`	`5`	`3532`	`◊`	H	x-1/2,y+1/2,z	`3_455`	`24`	`7`	`12004`	`192.8`	`-0.1`	`0.658`	`0`	`2`	`0`	`0.000`
`7`		[BAM]H:410	`9`	`1`	`275`	`f`	H	x,y,z	`1_555`	`34`	`17`	`12004`	`181.0`	`4.5`	`0.365`	`3`	`0`	`0`	`0.000`
`8`		H	`16`	`6`	`12004`	`◊`	H	-x+1,y,-z+1	`2_656`	`17`	`6`	`12004`	`138.8`	`3.5`	`0.888`	`1`	`8`	`0`	`0.000`
`9`		H	`8`	`1`	`12004`	`◊`	L	-x+1/2,y-1/2,-z+1	`4_546`	`12`	`6`	`3532`	`95.2`	`1.0`	`0.777`	`1`	`0`	`0`	`0.000`
`10`		[NA]H:409	`1`	`1`	`125`	`f`	H	x,y,z	`1_555`	`20`	`12`	`12004`	`80.9`	`-11.2`	`0.000`	`0`	`0`	`0`	`0.315`
`11`		I	`7`	`2`	`1651`	`◊`	H	-x,y,-z	`2_555`	`9`	`4`	`12004`	`46.6`	`0.0`	`0.549`	`0`	`0`	`0`	`0.000`
`12`		H	`3`	`1`	`12004`	`x`	H	x-1/2,y-1/2,z	`3_445`	`4`	`2`	`12004`	`30.8`	`1.0`	`0.744`	`0`	`0`	`0`	`0.000`
`13`		H	`1`	`1`	`12004`	`◊`	H	-x,y,-z+1	`2_556`	`1`	`1`	`12004`	`1.3`	`-0.0`	`0.497`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe