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Interfaces in PDB 4a31 crystal.
Space symmetry group: P 1 21 1. Resolution: 2.09 Å

CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND

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	`111`	`32`	`18865`	`x`	A	-x,y-1/2,-z	`2_545`	`112`	`37`	`18865`	`1030.2`	`-3.1`	`0.562`	`7`	`2`	`0`	`0.000`
`2`		[MYA]A:1424	`60`	`1`	`1170`	`f`	A	x,y,z	`1_555`	`113`	`41`	`18865`	`815.0`	`-16.4`	`0.371`	`17`	`0`	`0`	`0.064`
`3`		[2CB]A:1423	`28`	`1`	`642`	`f`	A	x,y,z	`1_555`	`69`	`27`	`18865`	`469.9`	`-8.5`	`0.451`	`2`	`0`	`0`	`0.025`
`4`		A	`38`	`10`	`18865`	`x`	A	x-1,y,z-1	`1_454`	`39`	`12`	`18865`	`374.8`	`-0.7`	`0.582`	`2`	`1`	`0`	`0.000`
`5`		A	`35`	`12`	`18865`	`x`	A	-x,y-1/2,-z+1	`2_546`	`31`	`10`	`18865`	`297.7`	`-0.7`	`0.569`	`3`	`0`	`0`	`0.000`
`6`		A	`28`	`8`	`18865`	`x`	A	x,y,z-1	`1_554`	`30`	`10`	`18865`	`262.2`	`-0.8`	`0.556`	`0`	`2`	`0`	`0.000`
`7`		A	`23`	`8`	`18865`	`x`	A	x-1,y,z	`1_455`	`17`	`5`	`18865`	`161.2`	`-0.7`	`0.492`	`2`	`0`	`0`	`0.000`
`8`		[GOL]A:1422	`6`	`1`	`216`	`f`	A	x,y,z	`1_555`	`24`	`11`	`18865`	`146.5`	`-0.7`	`0.560`	`6`	`0`	`0`	`0.009`
`9`		A	`19`	`6`	`18865`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`15`	`5`	`18865`	`127.4`	`1.1`	`0.775`	`3`	`0`	`0`	`0.000`
`10`		A	`13`	`4`	`18865`	`x`	A	-x-1,y-1/2,-z	`2_445`	`12`	`3`	`18865`	`108.9`	`-1.9`	`0.224`	`1`	`0`	`0`	`0.000`
`11`		[MYA]A:1424	`5`	`1`	`1170`	`f`	[2CB]A:1423	x,y,z	`1_555`	`3`	`1`	`642`	`39.0`	`-0.9`	`0.600`	`0`	`0`	`0`	`0.002`

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

Protein Data Bank
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