PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=544-5B-J13)

Interfaces in PDB 2bvr crystal.
Space symmetry group: C 1 2 1. Resolution: 1.25 Å

HUMAN THROMBIN COMPLEXED WITH FRAGMENT-BASED SMALL MOLECULES OCCUPYING THE S1 POCKET

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`		L	`99`	`22`	`2948`	`◊`	H	x,y,z	`1_555`	`124`	`33`	`11845`	`1056.2`	`-8.0`	`0.458`	`24`	`9`	`0`	`0.728`
`2`		I	`55`	`9`	`1637`	`◊`	H	x,y,z	`1_555`	`62`	`16`	`11845`	`553.9`	`-3.7`	`0.368`	`6`	`2`	`0`	`0.047`
`3`		H	`30`	`9`	`11845`	`◊`	H	-x+1,y,-z+1	`2_656`	`30`	`9`	`11845`	`343.8`	`-0.3`	`0.485`	`4`	`2`	`0`	`0.000`
`4`		[4CP]H:1246	`27`	`1`	`637`	`f`	H	x,y,z	`1_555`	`47`	`19`	`11845`	`338.2`	`-6.1`	`0.309`	`3`	`0`	`0`	`0.272`
`5`		H	`35`	`10`	`11845`	`x`	H	-x+1/2,y-1/2,-z	`4_545`	`25`	`7`	`11845`	`241.2`	`-2.4`	`0.199`	`0`	`0`	`0`	`0.000`
`6`		H	`21`	`6`	`11845`	`◊`	L	x-1/2,y-1/2,z	`3_445`	`18`	`5`	`2948`	`199.9`	`0.2`	`0.675`	`4`	`2`	`0`	`0.000`
`7`		H	`14`	`6`	`11845`	`◊`	H	-x,y,-z	`2_555`	`14`	`6`	`11845`	`157.6`	`4.6`	`0.952`	`6`	`10`	`0`	`0.000`
`8`		L	`9`	`3`	`2948`	`◊`	L	-x+1,y,-z	`2_655`	`9`	`3`	`2948`	`74.2`	`-0.7`	`0.620`	`0`	`0`	`0`	`0.000`
`9`		H	`4`	`1`	`11845`	`◊`	L	-x+1/2,y-1/2,-z	`4_545`	`8`	`3`	`2948`	`58.7`	`1.2`	`0.777`	`1`	`0`	`0`	`0.000`
`10`		I	`7`	`2`	`1637`	`◊`	H	-x+1,y,-z+1	`2_656`	`7`	`5`	`11845`	`53.6`	`0.2`	`0.622`	`0`	`0`	`0`	`0.000`
`11`		H	`7`	`2`	`11845`	`x`	H	x-1/2,y+1/2,z	`3_455`	`3`	`2`	`11845`	`26.5`	`0.5`	`0.676`	`0`	`0`	`0`	`0.000`
`12`		H	`1`	`1`	`11845`	`◊`	H	-x+1,y,-z	`2_655`	`1`	`1`	`11845`	`0.8`	`-0.0`	`0.539`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe