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Session Map (id=614-D4-451)

Interfaces in PDB 4h42 crystal.
Space symmetry group: H 3. Resolution: 2.01 Å

SYNTHESIS OF A WEAK BASIC UPA INHIBITOR AND CRYSTAL STRUCTURE OF COMPLEX WITH UPA

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`		U	`66`	`17`	`11714`	`x`	U	-x+y-1/3,-x-2/3,z+1/3	`6_445`	`65`	`20`	`11714`	`596.2`	`-4.7`	`0.249`	`7`	`0`	`0`	`0.000`
`2`		U	`45`	`17`	`11714`	`x`	U	-x+y-1/3,-x-2/3,z-2/3	`6_444`	`45`	`15`	`11714`	`425.0`	`2.9`	`0.788`	`6`	`0`	`0`	`0.000`
`3`		U	`45`	`14`	`11714`	`x`	U	-y-1/3,x-y+1/3,z-2/3	`5_454`	`38`	`10`	`11714`	`374.2`	`3.0`	`0.779`	`6`	`5`	`0`	`0.000`
`4`		U	`32`	`10`	`11714`	`x`	U	-y-1/3,x-y+1/3,z+1/3	`5_455`	`29`	`7`	`11714`	`282.7`	`-6.3`	`0.030`	`1`	`0`	`0`	`0.000`
`5`		[11E]U:301	`17`	`1`	`414`	`f`	U	x,y,z	`1_555`	`45`	`19`	`11714`	`248.6`	`2.9`	`0.316`	`5`	`0`	`0`	`0.000`
`6`		[PG6]U:302	`9`	`1`	`332`	`◊`	U	x,y,z	`1_555`	`19`	`8`	`11714`	`146.6`	`3.4`	`0.205`	`0`	`0`	`0`	`0.000`
`7`		U	`13`	`5`	`11714`	`f`	[PG6]U:302	-x+y-1/3,-x-2/3,z+1/3	`6_445`	`7`	`1`	`332`	`110.0`	`2.2`	`0.225`	`0`	`0`	`0`	`0.000`
`8`		U	`15`	`6`	`11714`	`x`	U	x,y,z-1	`1_554`	`11`	`3`	`11714`	`72.5`	`-0.6`	`0.351`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe