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Interfaces in PDB 5dhp crystal.
Space symmetry group: P 1 21 1. Resolution: 2.27 Å

CRYSTAL STRUCTURE OF NAD KINASE 1 FROM LISTERIA MONOCYTOGENES IN COMPLEX WITH A NOVEL INHIBITOR

Interfaces

##			Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
Id	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	`1`		D	`129`	`35`	`12108`	`◊`	C	x,y,z	`1_555`	`133`	`35`	`12461`	`1262.9`	`-23.1`	`0.003`	`8`	`0`	`0`	`0.772`
	`2`		B	`130`	`36`	`12587`	`◊`	A	x,y,z	`1_555`	`132`	`36`	`12548`	`1251.6`	`-24.7`	`0.001`	`7`	`0`	`0`	`0.772`
	*Average:*													`1257.3`	`-23.9`	`0.002`	`8`	`0`	`0`	`0.772`
2	`3`		C	`80`	`26`	`12461`	`◊`	A	x,y,z	`1_555`	`76`	`25`	`12548`	`718.7`	`-0.4`	`0.649`	`9`	`1`	`0`	`0.126`
	`4`		D	`67`	`23`	`12108`	`◊`	B	x,y,z	`1_555`	`77`	`26`	`12587`	`688.4`	`-2.0`	`0.530`	`10`	`0`	`0`	`0.126`
	*Average:*													`703.6`	`-1.2`	`0.590`	`10`	`1`	`0`	`0.126`
3	`5`		[5AQ]B:302	`24`	`1`	`571`	`f`	B	x,y,z	`1_555`	`33`	`10`	`12587`	`253.2`	`-0.8`	`0.569`	`5`	`0`	`0`	`0.187`
	`6`		[5AQ]A:303	`26`	`1`	`565`	`f`	A	x,y,z	`1_555`	`32`	`9`	`12548`	`249.2`	`-1.6`	`0.473`	`5`	`0`	`0`	`0.187`
	`7`		[5AQ]C:301	`22`	`1`	`576`	`f`	C	x,y,z	`1_555`	`29`	`9`	`12461`	`217.7`	`-1.6`	`0.439`	`4`	`0`	`0`	`0.187`
	*Average:*													`240.0`	`-1.3`	`0.494`	`5`	`0`	`0`	`0.187`
4	`8`		[5AQ]D:302	`24`	`1`	`557`	`f`	D	x,y,z	`1_555`	`32`	`10`	`12108`	`234.0`	`-1.8`	`0.488`	`3`	`0`	`0`	`0.092`
5	`9`		D	`26`	`10`	`12108`	`◊`	B	-x+1,y-1/2,-z-1	`2_644`	`29`	`8`	`12587`	`233.2`	`0.0`	`0.486`	`3`	`2`	`0`	`0.000`
6	`10`		A	`22`	`8`	`12548`	`◊`	B	-x,y-1/2,-z-1	`2_544`	`23`	`5`	`12587`	`228.2`	`-2.6`	`0.213`	`3`	`3`	`0`	`0.000`
7	`11`		A	`17`	`6`	`12548`	`x`	A	-x,y-1/2,-z-1	`2_544`	`26`	`7`	`12548`	`221.3`	`-1.5`	`0.382`	`2`	`3`	`0`	`0.000`
8	`12`		B	`25`	`7`	`12587`	`x`	B	-x+1,y-1/2,-z-1	`2_644`	`27`	`9`	`12587`	`211.3`	`-1.0`	`0.482`	`3`	`0`	`0`	`0.000`
9	`13`		[5AQ]B:302	`16`	`1`	`571`	`◊`	D	x,y,z	`1_555`	`31`	`11`	`12108`	`199.4`	`-0.9`	`0.564`	`3`	`0`	`0`	`0.072`
	`14`		[5AQ]C:301	`16`	`1`	`576`	`◊`	A	x,y,z	`1_555`	`32`	`11`	`12548`	`194.7`	`-0.7`	`0.586`	`3`	`0`	`0`	`0.072`
	`15`		[5AQ]A:303	`17`	`1`	`565`	`◊`	C	x,y,z	`1_555`	`35`	`12`	`12461`	`187.3`	`-1.1`	`0.559`	`2`	`0`	`0`	`0.072`
	*Average:*													`193.8`	`-0.9`	`0.570`	`3`	`0`	`0`	`0.072`
10	`16`		[CIT]B:301	`12`	`1`	`307`	`f`	B	x,y,z	`1_555`	`25`	`10`	`12587`	`181.4`	`1.5`	`0.487`	`3`	`0`	`0`	`0.000`
11	`17`		[CIT]D:301	`12`	`1`	`310`	`f`	D	x,y,z	`1_555`	`27`	`12`	`12108`	`180.3`	`0.7`	`0.430`	`6`	`0`	`0`	`0.057`
12	`18`		[CIT]A:301	`12`	`1`	`313`	`f`	A	x,y,z	`1_555`	`24`	`12`	`12548`	`177.2`	`0.6`	`0.482`	`7`	`0`	`0`	`0.067`
13	`19`		C	`18`	`7`	`12461`	`◊`	D	x-1,y,z	`1_455`	`29`	`11`	`12108`	`173.7`	`0.4`	`0.666`	`0`	`0`	`0`	`0.000`
14	`20`		[5AQ]D:302	`16`	`1`	`557`	`◊`	B	x,y,z	`1_555`	`25`	`9`	`12587`	`166.5`	`0.4`	`0.686`	`2`	`0`	`0`	`0.006`
15	`21`		C	`17`	`7`	`12461`	`◊`	B	x-1,y,z-1	`1_454`	`12`	`5`	`12587`	`133.8`	`-1.3`	`0.381`	`0`	`0`	`0`	`0.000`
16	`22`		[GOL]A:302	`6`	`1`	`217`	`f`	A	x,y,z	`1_555`	`14`	`6`	`12548`	`92.2`	`-0.2`	`0.543`	`1`	`0`	`0`	`0.017`
17	`23`		[GOL]A:302	`6`	`1`	`217`	`◊`	C	x,y,z	`1_555`	`12`	`6`	`12461`	`89.8`	`0.1`	`0.639`	`0`	`0`	`0`	`0.000`
18	`24`		C	`12`	`8`	`12461`	`◊`	A	x,y,z-1	`1_554`	`14`	`9`	`12548`	`70.8`	`-0.2`	`0.514`	`0`	`0`	`0`	`0.000`
	`25`		D	`10`	`5`	`12108`	`◊`	B	x,y,z-1	`1_554`	`11`	`6`	`12587`	`65.1`	`0.9`	`0.764`	`0`	`0`	`0`	`0.000`
	*Average:*													`67.9`	`0.4`	`0.639`	`0`	`0`	`0`	`0.000`
19	`26`		D	`8`	`3`	`12108`	`◊`	A	x,y,z	`1_555`	`8`	`3`	`12548`	`70.0`	`0.7`	`0.753`	`0`	`0`	`0`	`0.000`
	`27`		C	`6`	`3`	`12461`	`◊`	B	x,y,z	`1_555`	`4`	`3`	`12587`	`49.9`	`0.7`	`0.760`	`0`	`0`	`0`	`0.000`
	*Average:*													`60.0`	`0.7`	`0.756`	`0`	`0`	`0`	`0.000`
20	`28`		C	`5`	`3`	`12461`	`x`	C	-x,y-1/2,-z-2	`2_543`	`6`	`2`	`12461`	`55.5`	`1.0`	`0.823`	`2`	`2`	`0`	`0.000`
21	`29`		A	`8`	`6`	`12548`	`◊`	B	x-1,y,z	`1_455`	`8`	`5`	`12587`	`53.3`	`0.4`	`0.546`	`0`	`0`	`0`	`0.000`
22	`30`		A	`4`	`1`	`12548`	`◊`	B	-x+1,y-1/2,-z-1	`2_644`	`2`	`1`	`12587`	`38.7`	`-0.7`	`0.185`	`0`	`0`	`0`	`0.000`
23	`31`		D	`4`	`2`	`12108`	`x`	D	-x+1,y-1/2,-z-2	`2_643`	`8`	`5`	`12108`	`37.6`	`1.0`	`0.800`	`1`	`0`	`0`	`0.000`
24	`32`		[CIT]B:301	`3`	`1`	`307`	`◊`	A	x,y,z	`1_555`	`3`	`2`	`12548`	`23.7`	`0.4`	`0.498`	`0`	`0`	`0`	`0.000`
25	`33`		[CIT]A:301	`4`	`1`	`313`	`◊`	B	x,y,z	`1_555`	`3`	`2`	`12587`	`22.2`	`0.6`	`0.569`	`0`	`0`	`0`	`0.000`
26	`34`		[CIT]D:301	`3`	`1`	`310`	`◊`	C	x,y,z	`1_555`	`3`	`2`	`12461`	`21.3`	`0.6`	`0.575`	`0`	`0`	`0`	`0.000`
27	`35`		D	`2`	`2`	`12108`	`◊`	A	x,y,z-1	`1_554`	`3`	`2`	`12548`	`17.7`	`0.4`	`0.753`	`0`	`0`	`0`	`0.000`
28	`36`		A	`3`	`3`	`12548`	`◊`	D	x-1,y,z	`1_455`	`2`	`2`	`12108`	`4.0`	`0.1`	`0.674`	`0`	`0`	`0`	`0.000`
29	`37`		A	`2`	`2`	`12548`	`◊`	C	-x,y-1/2,-z-2	`2_543`	`2`	`2`	`12461`	`1.4`	`-0.0`	`0.578`	`0`	`0`	`0`	`0.000`
30	`38`		[CIT]D:301	`1`	`1`	`310`	`◊`	A	x,y,z-1	`1_554`	`1`	`1`	`12548`	`0.1`	`0.0`	`0.329`	`0`	`0`	`0`	`0.000`

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

Protein Data Bank
in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank in Europe

Bringing Structure to Biology

PDBePISA

Protein Data Bank
in Europe