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Interfaces in PDB 2pgq crystal.
Space symmetry group: P 21 21 21. Resolution: 1.80 Å

HUMAN THROMBIN MUTANT C191A-C220A IN COMPLEX WITH THE INHIBITOR PPACK

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`		B	`190`	`50`	`12578`	`◊`	A	x,y,z	`1_555`	`149`	`36`	`4427`	`1612.9`	`-13.2`	`0.279`	`29`	`9`	`1`	`0.261`
`2`		[0G6]B:301	`26`	`1`	`671`	`cf`	B	x,y,z	`1_555`	`74`	`27`	`12578`	`453.8`	`-0.9`	`0.360`	`8`	`0`	`0`	`0.049`
`3`		A	`23`	`10`	`4427`	`◊`	B	x-1/2,-y+5/2,-z-1	`4_474`	`24`	`9`	`12578`	`217.5`	`0.0`	`0.661`	`1`	`0`	`0`	`0.004`
`4`		[NAG]B:600	`7`	`1`	`362`	`cf`	B	x,y,z	`1_555`	`11`	`4`	`12578`	`98.3`	`2.4`	`0.492`	`0`	`0`	`0`	`0.000`
`5`		A	`13`	`3`	`4427`	`x`	A	x-1/2,-y+5/2,-z-1	`4_474`	`7`	`2`	`4427`	`87.8`	`-1.4`	`0.472`	`0`	`0`	`0`	`0.000`
`6`		B	`8`	`2`	`12578`	`x`	B	x-1,y,z	`1_455`	`9`	`4`	`12578`	`86.3`	`0.7`	`0.497`	`1`	`2`	`0`	`0.000`
`7`		B	`12`	`5`	`12578`	`x`	B	x-1/2,-y+5/2,-z-1	`4_474`	`8`	`3`	`12578`	`83.5`	`-0.7`	`0.345`	`0`	`1`	`0`	`0.000`
`8`		[ZN]B:502	`1`	`1`	`98`	`f`	B	x,y,z	`1_555`	`11`	`5`	`12578`	`53.7`	`-34.7`	`0.000`	`0`	`0`	`0`	`0.379`
`9`		[ZN]A:504	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`7`	`3`	`4427`	`44.8`	`-24.8`	`0.000`	`0`	`0`	`0`	`0.271`
`10`		[ZN]A:501	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`8`	`4`	`4427`	`32.8`	`-18.2`	`0.000`	`0`	`0`	`0`	`0.199`
`11`		[ZN]A:501	`1`	`1`	`98`	`◊`	B	x-1/2,-y+5/2,-z-1	`4_474`	`5`	`3`	`12578`	`27.5`	`-11.4`	`0.000`	`0`	`0`	`0`	`0.124`
`12`		[ZN]A:501	`1`	`1`	`98`	`◊`	B	x,y,z	`1_555`	`4`	`2`	`12578`	`21.3`	`-8.8`	`0.000`	`0`	`0`	`0`	`0.073`

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

Protein Data Bank
in Europe