Atomistry » Magnesium » PDB 5l5v-5lcf » 5lba
Atomistry »
  Magnesium »
    PDB 5l5v-5lcf »
      5lba »

Magnesium in PDB 5lba: Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening.

Enzymatic activity of Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening.

All present enzymatic activity of Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening.:
3.6.4.12;

Protein crystallography data

The structure of Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening., PDB code: 5lba was solved by J.A.Newman, H.Aitkenhead, R.Talon, P.Savitsky, T.Krojer, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, O.Gileadi, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 79.49 / 2.50
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 63.926, 85.261, 105.915, 109.90, 90.02, 97.01
R / Rfree (%) 23.7 / 30.3

Other elements in 5lba:

The structure of Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening. also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening. (pdb code 5lba). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening., PDB code: 5lba:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 5lba

Go back to Magnesium Binding Sites List in 5lba
Magnesium binding site 1 out of 4 in the Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg501

b:35.6
occ:1.00
 O B:HOH607 2.0 41.9 1.0
O B:HOH634 2.1 20.6 1.0
O3B B:ADP503 2.2 30.6 1.0
O B:HOH646 2.2 44.9 1.0
PB B:ADP503 3.6 35.0 1.0
OE2 B:GLU158 4.0 43.4 1.0
OD2 B:ASP157 4.0 41.1 1.0
O2B B:ADP503 4.0 34.7 1.0
OG B:SER59 4.0 33.1 1.0
OD1 B:ASP157 4.0 40.0 1.0
O2A B:ADP503 4.4 36.9 1.0
CG B:ASP157 4.4 38.0 1.0
O1B B:ADP503 4.5 33.2 1.0
O3A B:ADP503 4.6 39.1 1.0
CE B:LYS58 4.7 31.1 1.0
NE2 B:GLN86 4.7 56.4 1.0
PA B:ADP503 4.8 40.7 1.0
NZ B:LYS58 4.8 29.9 1.0
O1A B:ADP503 4.9 37.9 1.0
CD B:GLU158 4.9 40.5 1.0

Magnesium binding site 2 out of 4 in 5lba

Go back to Magnesium Binding Sites List in 5lba
Magnesium binding site 2 out of 4 in the Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:43.6
occ:1.00
 O A:HOH601 1.9 30.9 1.0
O A:HOH637 2.1 21.1 1.0
O A:HOH646 2.3 46.4 1.0
O1B A:ADP502 2.5 36.7 1.0
O A:HOH616 2.6 18.4 1.0
OD1 A:ASP157 3.5 40.5 1.0
PB A:ADP502 3.7 39.1 1.0
OD2 A:ASP157 3.9 36.4 1.0
O2B A:ADP502 4.0 35.8 1.0
CE A:LYS58 4.1 35.6 1.0
CG A:ASP157 4.1 37.0 1.0
OE1 A:GLU158 4.2 43.4 1.0
OE2 A:GLU158 4.4 45.2 1.0
CD A:GLU158 4.4 41.4 1.0
O A:HOH619 4.5 39.2 1.0
O3B A:ADP502 4.5 37.1 1.0
OG A:SER59 4.5 34.8 1.0
NZ A:LYS58 4.6 33.2 1.0
CB A:LYS58 4.6 39.8 1.0
O1A A:ADP502 4.9 49.1 1.0
O3A A:ADP502 4.9 43.1 1.0

Magnesium binding site 3 out of 4 in 5lba

Go back to Magnesium Binding Sites List in 5lba
Magnesium binding site 3 out of 4 in the Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg501

b:49.5
occ:1.00
 O C:HOH610 2.4 41.9 1.0
O2B C:ADP503 2.5 48.0 1.0
OD1 C:ASP157 3.6 43.6 1.0
PB C:ADP503 3.7 50.4 1.0
OD2 C:ASP157 3.7 49.1 1.0
O3B C:ADP503 4.0 47.8 1.0
CG C:ASP157 4.1 46.0 1.0
OE2 C:GLU158 4.2 50.1 1.0
OG C:SER59 4.2 39.3 1.0
CE C:LYS58 4.3 36.4 1.0
O C:HOH639 4.6 44.5 1.0
O1B C:ADP503 4.7 49.6 1.0
O2A C:ADP503 4.7 47.9 1.0
CB C:LYS58 4.7 36.4 1.0
NZ C:LYS58 4.9 35.6 1.0
O3A C:ADP503 4.9 47.9 1.0
O1A C:ADP503 4.9 39.3 1.0
N C:SER59 5.0 37.5 1.0
CD C:GLU158 5.0 45.3 1.0

Magnesium binding site 4 out of 4 in 5lba

Go back to Magnesium Binding Sites List in 5lba
Magnesium binding site 4 out of 4 in the Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Human RECQL5 Helicase in Complex with Dspl Fragment(1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea, Sgc - Diamond Xchem I04-1 Fragment Screening. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg501

b:45.7
occ:1.00
 O D:HOH631 1.9 50.7 1.0
O D:HOH621 2.1 25.2 1.0
O1B D:ADP503 2.8 35.3 1.0
OD1 D:ASP157 3.6 40.5 1.0
OD2 D:ASP157 3.8 44.6 1.0
PB D:ADP503 3.9 37.9 1.0
O3B D:ADP503 4.0 36.1 1.0
CG D:ASP157 4.1 41.4 1.0
OE1 D:GLU158 4.4 43.5 1.0
CE D:LYS58 4.5 38.0 1.0
OG D:SER59 4.5 38.6 1.0
CD D:GLU158 4.6 44.2 1.0
OE2 D:GLU158 4.6 48.6 1.0
O1A D:ADP503 4.8 47.9 1.0
O2B D:ADP503 4.8 35.0 1.0
NZ D:LYS58 4.9 38.0 1.0
CB D:LYS58 4.9 36.9 1.0

Reference:

J.A.Newman, R.Talon, H.Aitkenhead, P.Savitsky, T.Krojer, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, O.Gileadi. Crystal Structure of Human RECQL5 Helicase in Complex with 3D Fragment (1-Cyclohexyl-3-(Oxolan-2-Ylmethyl)Urea) To Be Published.
Page generated: Tue Aug 12 13:47:11 2025

Last articles

Mn in 9LJU
Mn in 9LJW
Mn in 9LJS
Mn in 9LJR
Mn in 9LJT
Mn in 9LJV
Mg in 9UA2
Mg in 9R96
Mg in 9VM1
Mg in 9P01
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy