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Session Map (id=654-66-LPJ)

Interfaces in PDB 2xc3 crystal.
Space symmetry group: P 21 21 21. Resolution: 1.50 Å

X-RAY STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS CYP125 BOUND TO THE REVERSE TYPE I INHIBITOR

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	`94`	`31`	`17355`	`x`	A	x-1/2,-y+3/2,-z+1	`4_466`	`88`	`26`	`17355`	`815.4`	`-5.6`	`0.473`	`4`	`2`	`0`	`0.000`
`2`		[HEM]A:1433	`43`	`1`	`839`	`f`	A	x,y,z	`1_555`	`91`	`38`	`17355`	`628.6`	`-25.0`	`0.307`	`4`	`0`	`0`	`0.097`
`3`		[RT8]A:1434	`29`	`1`	`618`	`◊`	A	x,y,z	`1_555`	`59`	`27`	`17355`	`482.6`	`1.9`	`0.208`	`1`	`0`	`0`	`0.000`
`4`		A	`40`	`14`	`17355`	`x`	A	-x+1/2,-y+1,z-1/2	`2_564`	`41`	`13`	`17355`	`362.5`	`-4.7`	`0.256`	`1`	`2`	`0`	`0.000`
`5`		A	`36`	`9`	`17355`	`x`	A	x-1/2,-y+1/2,-z+1	`4_456`	`31`	`11`	`17355`	`295.8`	`-2.4`	`0.464`	`2`	`3`	`0`	`0.000`
`6`		A	`29`	`10`	`17355`	`x`	A	-x+1,y-1/2,-z+1/2	`3_645`	`31`	`11`	`17355`	`224.8`	`-2.4`	`0.411`	`0`	`0`	`0`	`0.000`
`7`		A	`25`	`9`	`17355`	`x`	A	x-1,y,z	`1_455`	`18`	`5`	`17355`	`201.4`	`0.8`	`0.803`	`3`	`2`	`0`	`0.000`
`8`		A	`6`	`2`	`17355`	`x`	A	-x,y-1/2,-z+1/2	`3_545`	`6`	`3`	`17355`	`60.2`	`1.7`	`0.824`	`1`	`0`	`0`	`0.000`
`9`		[RT8]A:1434	`1`	`1`	`618`	`f`	A	-x+1/2,-y+1,z-1/2	`2_564`	`5`	`2`	`17355`	`24.0`	`-0.7`	`0.236`	`0`	`0`	`0`	`0.003`
`10`		[RT8]A:1434	`1`	`1`	`618`	`◊`	[HEM]A:1433	x,y,z	`1_555`	`2`	`1`	`839`	`2.0`	`0.0`	`0.630`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe