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Interfaces in PDB 1c5t crystal.
Space symmetry group: P 31 2 1. Resolution: 1.37 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`		A	`58`	`18`	`9207`	`x`	A	x-y,-y+1,-z+2/3	`5_565`	`54`	`17`	`9207`	`512.6`	`-2.5`	`0.472`	`2`	`0`	`0`	`0.000`
`2`		A	`30`	`13`	`9207`	`x`	A	y,x-1,-z+1	`4_546`	`39`	`15`	`9207`	`271.6`	`0.8`	`0.673`	`0`	`0`	`0`	`0.000`
`3`		A	`38`	`13`	`9207`	`◊`	A	x-y,-y,-z+2/3	`5_555`	`38`	`13`	`9207`	`261.7`	`-1.0`	`0.576`	`0`	`0`	`0`	`0.000`
`4`		A	`30`	`10`	`9207`	`x`	A	-y+1,x-y,z+1/3	`2_655`	`28`	`10`	`9207`	`258.4`	`-0.7`	`0.544`	`2`	`0`	`0`	`0.000`
`5`		[ESP]A:246	`12`	`1`	`323`	`f`	A	x,y,z	`1_555`	`43`	`18`	`9207`	`208.6`	`2.7`	`0.447`	`4`	`0`	`0`	`0.000`
`6`		[CA]A:247	`1`	`1`	`85`	`f`	A	x,y,z	`1_555`	`6`	`4`	`9207`	`43.1`	`-12.5`	`0.000`	`0`	`0`	`0`	`0.108`

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

Protein Data Bank
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