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Interfaces in PDB 4e28 crystal.
Space symmetry group: P 31 2 1. Resolution: 2.30 Å

STRUCTURE OF HUMAN THYMIDYLATE SYNTHASE IN INACTIVE CONFORMATION WITH A NOVEL NON-PEPTIDIC 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	`208`	`54`	`12921`	`◊`	A	x-y,-y,-z+2/3	`5_555`	`208`	`54`	`12921`	`2101.2`	`-22.9`	`0.124`	`34`	`4`	`0`	`0.497`
`2`		[0MZ]A:403	`26`	`1`	`644`	`f`	A	x,y,z	`1_555`	`46`	`20`	`12921`	`292.4`	`5.2`	`0.428`	`4`	`0`	`0`	`0.000`
`3`		[9MZ]A:404	`26`	`1`	`635`	`f`	A	x,y,z	`1_555`	`46`	`18`	`12921`	`288.9`	`3.4`	`0.324`	`2`	`0`	`0`	`0.000`
`4`		A	`33`	`9`	`12921`	`x`	A	-x+1,-x+y,-z+1/3	`6_655`	`32`	`8`	`12921`	`286.6`	`-1.6`	`0.540`	`3`	`1`	`0`	`0.000`
`5`		[9MZ]A:404	`30`	`1`	`635`	`f`	[0MZ]A:403	x,y,z	`1_555`	`30`	`1`	`644`	`271.3`	`6.6`	`0.049`	`0`	`0`	`0`	`0.000`
`6`		A	`27`	`8`	`12921`	`x`	A	-y,x-y-1,z+1/3	`2_545`	`28`	`8`	`12921`	`211.0`	`1.1`	`0.742`	`4`	`0`	`0`	`0.000`
`7`		[SO4]A:402	`5`	`1`	`185`	`f`	A	x,y,z	`1_555`	`14`	`7`	`12921`	`88.6`	`-11.7`	`0.897`	`3`	`0`	`0`	`0.336`
`8`		[SO4]A:401	`5`	`1`	`185`	`f`	A	-y,x-y-1,z+1/3	`2_545`	`10`	`3`	`12921`	`64.8`	`-8.8`	`0.800`	`2`	`0`	`0`	`0.250`
`9`		[SO4]A:402	`4`	`1`	`185`	`◊`	A	x-y,-y,-z+2/3	`5_555`	`8`	`2`	`12921`	`64.0`	`-8.9`	`0.637`	`1`	`0`	`0`	`0.240`
`10`		[SO4]A:401	`5`	`1`	`185`	`◊`	A	x,y,z	`1_555`	`5`	`3`	`12921`	`57.3`	`-7.6`	`0.828`	`1`	`0`	`0`	`0.000`
`11`		[SO4]A:401	`4`	`1`	`185`	`◊`	A	x-y,-y,-z+2/3	`5_555`	`4`	`2`	`12921`	`41.2`	`-3.8`	`0.966`	`2`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe