Atomistry » Magnesium » PDB 2bhd-2bt1 » 2br3
Atomistry »
  Magnesium »
    PDB 2bhd-2bt1 »
      2br3 »

Magnesium in PDB 2br3: Cmci-D160 Mg

Protein crystallography data

The structure of Cmci-D160 Mg, PDB code: 2br3 was solved by L.M.Oster, D.R.Lester, A.Terwisscha Van Scheltinga, M.Svenda, C.Genereux, I.Andersson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.23 / 2.79
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 77.877, 145.515, 162.154, 90.00, 90.00, 90.00
R / Rfree (%) 22.2 / 27.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Cmci-D160 Mg (pdb code 2br3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Cmci-D160 Mg, PDB code: 2br3:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 2br3

Go back to Magnesium Binding Sites List in 2br3
Magnesium binding site 1 out of 5 in the Cmci-D160 Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cmci-D160 Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg300

b:0.5
occ:1.00
NE2 B:GLN223 3.0 13.4 1.0
O B:LEU64 3.1 18.3 1.0
OE1 B:GLU186 3.5 21.3 1.0
CD B:GLN223 3.5 14.8 1.0
C B:LEU64 3.6 18.2 1.0
CG B:LYS65 3.8 19.3 1.0
OE1 B:GLN223 3.8 13.5 1.0
CA B:LYS65 3.8 19.0 1.0
N B:LYS65 3.9 18.5 1.0
O B:HOH2010 4.0 39.8 1.0
OD2 B:ASP187 4.0 22.5 1.0
O B:HOH2022 4.1 29.4 1.0
CB B:LEU64 4.3 18.3 1.0
CB B:LYS65 4.3 19.1 1.0
NZ B:LYS65 4.4 20.9 1.0
CG B:GLN223 4.4 16.9 1.0
CD B:GLU186 4.5 21.5 1.0
OD1 B:ASP160 4.6 16.7 1.0
CA B:LEU64 4.6 18.2 1.0
CB B:GLN223 4.7 18.1 1.0
OD1 B:ASP187 4.7 24.7 1.0
CD B:LYS65 4.8 19.4 1.0
CG B:ASP187 4.9 22.4 1.0

Magnesium binding site 2 out of 5 in 2br3

Go back to Magnesium Binding Sites List in 2br3
Magnesium binding site 2 out of 5 in the Cmci-D160 Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cmci-D160 Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg300

b:0.8
occ:1.00
OD2 C:ASP187 2.6 24.7 1.0
OE1 C:GLU186 2.8 20.2 1.0
CD C:GLU186 3.6 22.0 1.0
CG C:ASP187 3.6 24.6 1.0
CB C:GLU186 3.7 22.0 1.0
CD C:GLN223 3.7 15.8 1.0
CB C:GLN223 3.7 18.7 1.0
CG C:GLN223 3.8 17.8 1.0
NE2 C:GLN223 3.8 12.8 1.0
OD1 C:ASP187 3.9 27.4 1.0
CG C:GLU186 4.2 21.9 1.0
OE1 C:GLN223 4.2 14.3 1.0
OD1 C:ASP160 4.2 21.5 1.0
OE2 C:GLU186 4.4 23.2 1.0
CG C:LYS65 4.6 21.9 1.0
NZ C:LYS65 4.7 22.7 1.0
CA C:GLN223 4.8 18.9 1.0
CB C:ASP187 4.8 23.3 1.0
CA C:GLU186 4.9 22.3 1.0
O C:GLN223 5.0 19.9 1.0

Magnesium binding site 3 out of 5 in 2br3

Go back to Magnesium Binding Sites List in 2br3
Magnesium binding site 3 out of 5 in the Cmci-D160 Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Cmci-D160 Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg300

b:0.1
occ:1.00
O D:HOH2024 2.3 69.0 1.0
NZ D:LYS65 2.8 13.1 1.0
OD2 D:ASP160 3.4 13.6 1.0
OD1 D:ASP160 3.5 13.4 1.0
CG D:ASP160 3.6 14.8 1.0
CG D:LYS65 3.6 16.8 1.0
OG D:SER95 3.7 14.1 1.0
OE1 D:GLU186 3.7 19.1 1.0
CE D:LYS65 3.8 14.9 1.0
CB D:LEU64 4.0 17.3 1.0
CD D:LYS65 4.3 15.7 1.0
OE2 D:GLU87 4.4 18.2 1.0
N D:LYS65 4.5 17.0 1.0
CB D:ASP160 4.6 15.1 1.0
C D:LEU64 4.7 17.1 1.0
CD D:GLU186 4.7 17.9 1.0
CB D:SER95 4.7 14.3 1.0
CD1 D:LEU64 4.8 18.0 1.0
CG D:LEU64 4.9 18.0 1.0
CA D:LEU64 4.9 17.3 1.0
CB D:LYS65 4.9 17.1 1.0

Magnesium binding site 4 out of 5 in 2br3

Go back to Magnesium Binding Sites List in 2br3
Magnesium binding site 4 out of 5 in the Cmci-D160 Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Cmci-D160 Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg300

b:0.6
occ:1.00
O E:LEU64 2.9 21.1 1.0
OE1 E:GLU186 3.3 21.0 1.0
C E:LEU64 3.3 20.9 1.0
NE2 E:GLN223 3.4 10.8 1.0
N E:LYS65 3.6 20.7 1.0
CG E:LYS65 3.7 21.2 1.0
CA E:LYS65 3.7 20.6 1.0
CB E:LEU64 3.8 21.0 1.0
CD E:GLN223 3.9 13.1 1.0
OD2 E:ASP187 4.0 21.8 1.0
OE1 E:GLN223 4.1 12.5 1.0
CB E:LYS65 4.2 20.6 1.0
CA E:LEU64 4.2 21.1 1.0
NZ E:LYS65 4.3 17.6 1.0
OD1 E:ASP160 4.4 11.2 1.0
O E:HOH2022 4.4 33.1 1.0
CD E:GLU186 4.5 21.4 1.0
CD E:LYS65 4.8 20.9 1.0
CG E:GLN223 4.9 14.4 1.0

Magnesium binding site 5 out of 5 in 2br3

Go back to Magnesium Binding Sites List in 2br3
Magnesium binding site 5 out of 5 in the Cmci-D160 Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Cmci-D160 Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg300

b:71.9
occ:1.00
OE1 F:GLU186 3.0 16.6 1.0
OD2 F:ASP187 3.3 22.6 1.0
CD F:GLN223 3.3 16.7 1.0
NE2 F:GLN223 3.4 14.4 1.0
OE1 F:GLN223 3.7 18.0 1.0
CG F:GLN223 3.7 17.2 1.0
CB F:GLN223 3.7 18.0 1.0
CD F:GLU186 3.8 18.1 1.0
O F:LEU64 3.9 20.9 1.0
OD1 F:ASP187 4.0 21.1 1.0
CG F:ASP187 4.0 21.1 1.0
CB F:GLU186 4.1 19.7 1.0
OD1 F:ASP160 4.2 22.6 1.0
CG F:LYS65 4.3 20.3 1.0
OE2 F:GLU186 4.5 17.4 1.0
CG F:GLU186 4.6 19.1 1.0
CA F:LYS65 4.6 20.6 1.0
C F:LEU64 4.7 21.0 1.0
NZ F:LYS65 4.8 20.9 1.0
CA F:GLN223 5.0 18.4 1.0
CB F:LYS65 5.0 20.4 1.0
N F:LYS65 5.0 20.7 1.0

Reference:

L.M.Oster, D.R.Lester, A.Terwisscha Van Scheltinga, M.Svenda, M.Van Lun, C.Genereux, I.Andersson. Insights Into Cephamycin Biosynthesis: the Crystal Structure of Cmci From Streptomyces Clavuligerus. J.Mol.Biol. V. 358 546 2006.
ISSN: ISSN 0022-2836
PubMed: 16527306
DOI: 10.1016/J.JMB.2006.02.004
Page generated: Tue Aug 13 21:59:53 2024

Last articles

Na in 6D9B
Na in 6D99
Na in 6D9A
Na in 6D5L
Na in 6D55
Na in 6D5J
Na in 6D5E
Na in 6D56
Na in 6D64
Na in 6D59
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy