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Interfaces in PDB 6lj6 crystal.
Space symmetry group: P 1 21 1. Resolution: 1.27 Å

CRYSTAL STRUCTURE OF NDM-1 IN COMPLEX WITH D-CAPTOPRIL DERIVATIVE WSS05008

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	`47`	`15`	`9628`	`x`	A	-x+2,y-1/2,-z+2	`2_747`	`47`	`15`	`9628`	`384.6`	`0.8`	`0.792`	`5`	`4`	`0`	`0.000`
`2`		[EFF]A:301	`15`	`1`	`407`	`f`	A	x,y,z	`1_555`	`36`	`14`	`9628`	`275.8`	`1.5`	`0.126`	`2`	`0`	`0`	`0.000`
`3`		A	`30`	`10`	`9628`	`x`	A	-x+1,y-1/2,-z+1	`2_646`	`31`	`7`	`9628`	`272.9`	`0.0`	`0.658`	`2`	`0`	`0`	`0.000`
`4`		A	`29`	`13`	`9628`	`x`	A	-x+2,y-1/2,-z+1	`2_746`	`28`	`9`	`9628`	`251.1`	`-2.1`	`0.425`	`1`	`0`	`0`	`0.000`
`5`		A	`29`	`9`	`9628`	`x`	A	x-1,y,z	`1_455`	`27`	`10`	`9628`	`214.9`	`-1.2`	`0.557`	`1`	`0`	`0`	`0.000`
`6`		A	`14`	`5`	`9628`	`x`	A	x,y,z-1	`1_554`	`16`	`4`	`9628`	`138.2`	`0.9`	`0.756`	`1`	`0`	`0`	`0.000`
`7`		[ZN]A:302	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`10`	`6`	`9628`	`33.1`	`-22.3`	`0.000`	`0`	`0`	`0`	`0.028`
`8`		[ZN]A:303	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`10`	`6`	`9628`	`32.7`	`-23.8`	`0.000`	`0`	`0`	`0`	`0.030`
`9`		[ZN]A:302	`1`	`1`	`98`	`f`	[EFF]A:301	x,y,z	`1_555`	`5`	`1`	`407`	`30.1`	`-13.1`	`0.000`	`0`	`0`	`0`	`0.017`
`10`		[ZN]A:303	`1`	`1`	`98`	`f`	[EFF]A:301	x,y,z	`1_555`	`2`	`1`	`407`	`28.4`	`-11.9`	`0.000`	`0`	`0`	`0`	`0.015`
`11`		[ZN]A:303	`1`	`1`	`98`	`f`	[ZN]A:302	x,y,z	`1_555`	`1`	`1`	`98`	`10.6`	`-8.5`	`0.000`	`0`	`0`	`0`	`0.011`

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

Protein Data Bank
in Europe