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Session Map (id=335-66-FKO)

Interfaces in PDB 5v9p crystal.
Space symmetry group: P 31 2 1. Resolution: 3.00 Å

CRYSTAL STRUCTURE OF PYRROLIDINE AMIDE INHIBITOR [(3S)-3-(4-BROMO-1H- PYRAZOL-1-YL)PYRROLIDIN-1-YL][3-(PROPAN-2-YL)-1H-PYRAZOL-5- YL]METHANONE (COMPOUND 35) IN COMPLEX WITH KDM5A

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	`82`	`25`	`27579`	`◊`	A	-x,-x+y,-z+1/3	`6_555`	`82`	`25`	`27579`	`701.5`	`-4.0`	`0.704`	`1`	`0`	`0`	`0.000`
`2`		A	`46`	`12`	`27579`	`x`	A	-y,x-y+1,z+1/3	`2_565`	`47`	`17`	`27579`	`493.9`	`-6.4`	`0.257`	`0`	`0`	`0`	`0.000`
`3`		[90S]A:904	`21`	`1`	`517`	`f`	A	x,y,z	`1_555`	`62`	`22`	`27579`	`350.1`	`1.1`	`0.447`	`0`	`0`	`0`	`0.000`
`4`		B	`22`	`7`	`907`	`◊`	A	-x,-x+y,-z+1/3	`6_555`	`39`	`10`	`27579`	`286.9`	`-3.1`	`0.733`	`2`	`0`	`0`	`0.000`
`5`		B	`11`	`4`	`907`	`◊`	A	x,y,z	`1_555`	`12`	`5`	`27579`	`141.8`	`-1.1`	`0.712`	`0`	`0`	`0`	`0.000`
`6`		[SO4]A:905	`5`	`1`	`185`	`f`	A	x,y,z	`1_555`	`18`	`6`	`27579`	`88.6`	`-12.7`	`0.858`	`2`	`0`	`0`	`0.020`
`7`		[ZN]A:903	`1`	`1`	`98`	`f`	A	x,y,z	`1_555`	`4`	`2`	`27579`	`49.2`	`-38.6`	`0.000`	`0`	`0`	`0`	`0.057`
`8`		[NI]A:901	`1`	`1`	`115`	`f`	A	x,y,z	`1_555`	`11`	`6`	`27579`	`44.9`	`-8.3`	`0.000`	`0`	`0`	`0`	`0.012`
`9`		[SO4]A:905	`5`	`1`	`185`	`f`	[90S]A:904	x,y,z	`1_555`	`5`	`1`	`517`	`41.8`	`-3.8`	`0.722`	`0`	`0`	`0`	`0.006`
`10`		[90S]A:904	`5`	`1`	`517`	`f`	[NI]A:901	x,y,z	`1_555`	`1`	`1`	`115`	`39.1`	`-4.1`	`0.000`	`0`	`0`	`0`	`0.006`

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

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PDBePISA

Protein Data Bank in Europe

Bringing Structure to Biology

PDBePISA

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