Atomistry » Magnesium » PDB 6kqk-6l54 » 6l3r
Atomistry »
  Magnesium »
    PDB 6kqk-6l54 »
      6l3r »

Magnesium in PDB 6l3r: Crystal Structure of Ribonucleotide Reductase R1 Subunit, RRM1 in Complex with 4-Bromo-N-((1S,2R)-2-(Naphthalen-1-Yl)-1-(5-Oxo-4,5- Dihydro-1,3,4-Oxadiazol-2-Yl)Propyl)Benzenesulfonamide

Enzymatic activity of Crystal Structure of Ribonucleotide Reductase R1 Subunit, RRM1 in Complex with 4-Bromo-N-((1S,2R)-2-(Naphthalen-1-Yl)-1-(5-Oxo-4,5- Dihydro-1,3,4-Oxadiazol-2-Yl)Propyl)Benzenesulfonamide

All present enzymatic activity of Crystal Structure of Ribonucleotide Reductase R1 Subunit, RRM1 in Complex with 4-Bromo-N-((1S,2R)-2-(Naphthalen-1-Yl)-1-(5-Oxo-4,5- Dihydro-1,3,4-Oxadiazol-2-Yl)Propyl)Benzenesulfonamide:
1.17.4.1;

Protein crystallography data

The structure of Crystal Structure of Ribonucleotide Reductase R1 Subunit, RRM1 in Complex with 4-Bromo-N-((1S,2R)-2-(Naphthalen-1-Yl)-1-(5-Oxo-4,5- Dihydro-1,3,4-Oxadiazol-2-Yl)Propyl)Benzenesulfonamide, PDB code: 6l3r was solved by S.Miyahara, K.T.Chong, T.Suzuki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.92 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 106.860, 108.400, 130.100, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 23.2

Other elements in 6l3r:

The structure of Crystal Structure of Ribonucleotide Reductase R1 Subunit, RRM1 in Complex with 4-Bromo-N-((1S,2R)-2-(Naphthalen-1-Yl)-1-(5-Oxo-4,5- Dihydro-1,3,4-Oxadiazol-2-Yl)Propyl)Benzenesulfonamide also contains other interesting chemical elements:

Bromine (Br) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Ribonucleotide Reductase R1 Subunit, RRM1 in Complex with 4-Bromo-N-((1S,2R)-2-(Naphthalen-1-Yl)-1-(5-Oxo-4,5- Dihydro-1,3,4-Oxadiazol-2-Yl)Propyl)Benzenesulfonamide (pdb code 6l3r). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Ribonucleotide Reductase R1 Subunit, RRM1 in Complex with 4-Bromo-N-((1S,2R)-2-(Naphthalen-1-Yl)-1-(5-Oxo-4,5- Dihydro-1,3,4-Oxadiazol-2-Yl)Propyl)Benzenesulfonamide, PDB code: 6l3r:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 6l3r

Go back to Magnesium Binding Sites List in 6l3r
Magnesium binding site 1 out of 2 in the Crystal Structure of Ribonucleotide Reductase R1 Subunit, RRM1 in Complex with 4-Bromo-N-((1S,2R)-2-(Naphthalen-1-Yl)-1-(5-Oxo-4,5- Dihydro-1,3,4-Oxadiazol-2-Yl)Propyl)Benzenesulfonamide


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 Ribonucleotide Reductase R1 Subunit, RRM1 in Complex with 4-Bromo-N-((1S,2R)-2-(Naphthalen-1-Yl)-1-(5-Oxo-4,5- Dihydro-1,3,4-Oxadiazol-2-Yl)Propyl)Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:34.0
occ:1.00
O2B A:TTP801 2.1 26.8 1.0
O2A A:TTP801 2.2 31.3 1.0
O A:HOH928 2.3 23.0 1.0
O3G A:TTP801 2.3 29.6 1.0
PB A:TTP801 3.2 30.7 1.0
PG A:TTP801 3.4 30.6 1.0
PA A:TTP801 3.5 27.7 1.0
O1G A:TTP801 3.6 29.7 1.0
O3B A:TTP801 3.7 30.7 1.0
O3A A:TTP801 3.7 29.2 1.0
CB A:SER227 4.1 21.2 1.0
O A:ASP226 4.2 21.9 1.0
O1A A:TTP801 4.5 23.8 1.0
O1B A:TTP801 4.6 30.1 1.0
NH2 A:ARG256 4.6 28.2 1.0
C5' A:TTP801 4.7 24.7 1.0
O5' A:TTP801 4.7 24.1 1.0
CA A:SER227 4.8 23.2 1.0
O2G A:TTP801 4.8 28.9 1.0

Magnesium binding site 2 out of 2 in 6l3r

Go back to Magnesium Binding Sites List in 6l3r
Magnesium binding site 2 out of 2 in the Crystal Structure of Ribonucleotide Reductase R1 Subunit, RRM1 in Complex with 4-Bromo-N-((1S,2R)-2-(Naphthalen-1-Yl)-1-(5-Oxo-4,5- Dihydro-1,3,4-Oxadiazol-2-Yl)Propyl)Benzenesulfonamide


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 Ribonucleotide Reductase R1 Subunit, RRM1 in Complex with 4-Bromo-N-((1S,2R)-2-(Naphthalen-1-Yl)-1-(5-Oxo-4,5- Dihydro-1,3,4-Oxadiazol-2-Yl)Propyl)Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg801

b:33.4
occ:1.00
O3G E:TTP803 2.1 29.4 1.0
O2A E:TTP803 2.1 25.8 1.0
O2B E:TTP803 2.1 26.7 1.0
O E:HOH940 2.2 27.3 1.0
PB E:TTP803 3.2 34.9 1.0
PG E:TTP803 3.2 35.4 1.0
PA E:TTP803 3.5 24.7 1.0
O1G E:TTP803 3.5 35.6 1.0
O3B E:TTP803 3.6 35.8 1.0
O3A E:TTP803 3.8 25.4 1.0
O E:ASP226 4.3 20.5 1.0
CB E:SER227 4.4 23.1 1.0
C5' E:TTP803 4.5 25.0 1.0
NH2 E:ARG256 4.5 28.3 1.0
O5' E:TTP803 4.6 22.9 1.0
O1B E:TTP803 4.6 32.6 1.0
O2G E:TTP803 4.6 31.9 1.0
O1A E:TTP803 4.6 22.2 1.0
CA E:SER227 5.0 24.6 1.0

Reference:

S.Miyahara, S.Hara, K.T.Chong, T.Suzuki, Y.Ogino, T.Hoshino, S.Tsukioka, W.Yano, M.Suzuki, Y.Otsu, T.Yonekura, S.Ito, M.Terasaka, T.Suzuki, A.Hashimoto. TAS1553, A Novel Small Molecule Ribonucleotide Reductase (Rnr) Subunit Interaction Inhibitor, Displays Remarkable Anti-Tumor Activity To Be Published.
Page generated: Tue Oct 1 10:03:17 2024

Last articles

Zn in 1MC5
Zn in 1MFM
Zn in 1MA0
Zn in 1MED
Zn in 1MEA
Zn in 1MBX
Zn in 1MA3
Zn in 1M9O
Zn in 1M9R
Zn in 1M9Q
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy