Atomistry » Magnesium » PDB 3u87-3umb » 3uj2
Atomistry »
  Magnesium »
    PDB 3u87-3umb »
      3uj2 »

Magnesium in PDB 3uj2: Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate

Enzymatic activity of Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate

All present enzymatic activity of Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate:
4.2.1.11;

Protein crystallography data

The structure of Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate, PDB code: 3uj2 was solved by M.W.Vetting, R.Toro, R.Bhosle, B.Hillerich, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.03 / 2.00
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 282.350, 282.210, 119.180, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 23.1

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate (pdb code 3uj2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate, PDB code: 3uj2:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 3uj2

Go back to Magnesium Binding Sites List in 3uj2
Magnesium binding site 1 out of 8 in the Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate


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 An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg431

b:27.4
occ:1.00
O A:HOH1536 2.1 31.6 1.0
OD2 A:ASP244 2.1 25.5 1.0
O A:HOH442 2.1 13.4 1.0
O A:HOH470 2.1 22.9 1.0
OD2 A:ASP316 2.1 19.0 1.0
OE2 A:GLU289 2.3 19.9 1.0
CG A:ASP244 3.0 19.9 1.0
OD1 A:ASP244 3.2 19.1 1.0
CG A:ASP316 3.3 29.2 1.0
O A:HOH798 3.5 40.3 1.0
CD A:GLU289 3.5 26.2 1.0
CB A:ASP316 3.8 20.4 1.0
NE2 A:GLN165 4.1 31.2 1.0
OE2 A:GLU166 4.2 21.2 1.0
OD2 A:ASP290 4.3 20.9 1.0
NZ A:LYS392 4.3 22.2 1.0
CG A:GLU289 4.3 25.1 1.0
OD1 A:ASP316 4.3 21.2 1.0
CB A:ASP244 4.4 18.5 1.0
O A:HOH533 4.4 33.6 1.0
OE1 A:GLU289 4.4 25.9 1.0
NZ A:LYS341 4.6 21.4 1.0
CD2 A:LEU339 4.8 5.7 1.0
CB A:ALA246 4.8 8.3 1.0
CD A:GLU166 5.0 26.6 1.0

Magnesium binding site 2 out of 8 in 3uj2

Go back to Magnesium Binding Sites List in 3uj2
Magnesium binding site 2 out of 8 in the Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate


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 An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg431

b:34.7
occ:1.00
O B:HOH1542 2.1 45.9 1.0
O B:HOH962 2.1 23.6 1.0
OD2 B:ASP244 2.1 29.7 1.0
O B:HOH1543 2.1 34.4 1.0
OD2 B:ASP316 2.1 23.4 1.0
OE2 B:GLU289 2.2 27.6 1.0
CG B:ASP244 3.0 26.7 1.0
CG B:ASP316 3.2 24.1 1.0
OD1 B:ASP244 3.3 24.7 1.0
CD B:GLU289 3.4 32.2 1.0
CB B:ASP316 3.8 26.3 1.0
NE2 B:GLN165 4.0 44.6 1.0
NZ B:LYS392 4.1 32.0 1.0
O B:HOH1284 4.1 44.3 1.0
CG B:GLU289 4.2 19.5 1.0
OE1 B:GLU289 4.3 25.6 1.0
OD1 B:ASP316 4.3 20.4 1.0
CB B:ASP244 4.3 16.8 1.0
OE2 B:GLU166 4.4 37.8 1.0
OD2 B:ASP290 4.4 34.5 1.0
CD2 B:LEU339 4.7 4.1 1.0
NZ B:LYS341 4.7 21.9 1.0
CD B:GLU166 4.9 29.8 1.0
CB B:ALA246 4.9 16.1 1.0

Magnesium binding site 3 out of 8 in 3uj2

Go back to Magnesium Binding Sites List in 3uj2
Magnesium binding site 3 out of 8 in the Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate


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 An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg431

b:36.5
occ:1.00
OD2 C:ASP316 2.1 22.4 1.0
O C:HOH482 2.1 36.9 1.0
O C:HOH968 2.1 29.9 1.0
O C:HOH958 2.1 25.6 1.0
OD2 C:ASP244 2.2 22.6 1.0
OE2 C:GLU289 2.3 24.1 1.0
CG C:ASP316 3.2 25.7 1.0
CG C:ASP244 3.3 25.7 1.0
CD C:GLU289 3.5 20.3 1.0
OD1 C:ASP244 3.7 28.3 1.0
CB C:ASP316 3.8 19.9 1.0
NE2 C:GLN165 3.9 42.2 1.0
OE2 C:GLU166 4.1 27.7 1.0
NZ C:LYS392 4.2 30.2 1.0
OD1 C:ASP316 4.3 23.8 1.0
OE1 C:GLU289 4.3 19.4 1.0
OD2 C:ASP290 4.3 30.3 1.0
CG C:GLU289 4.4 17.9 1.0
CB C:ASP244 4.5 22.9 1.0
CD2 C:LEU339 4.6 16.1 1.0
NZ C:LYS341 4.6 31.9 1.0
O C:HOH1570 4.7 43.0 1.0
CD C:GLU166 4.9 26.1 1.0

Magnesium binding site 4 out of 8 in 3uj2

Go back to Magnesium Binding Sites List in 3uj2
Magnesium binding site 4 out of 8 in the Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate


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 An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg430

b:44.6
occ:1.00
O D:HOH431 2.0 37.5 1.0
O D:HOH1584 2.1 57.1 1.0
OD2 D:ASP244 2.1 50.6 1.0
O D:HOH453 2.1 39.8 1.0
OD2 D:ASP316 2.2 42.7 1.0
OE2 D:GLU289 2.4 46.4 1.0
CG D:ASP244 3.0 33.7 1.0
OD1 D:ASP244 3.2 34.7 1.0
CG D:ASP316 3.4 36.2 1.0
CD D:GLU289 3.6 39.2 1.0
NE2 D:GLN165 3.7 59.3 1.0
CB D:ASP316 4.0 34.6 1.0
OE2 D:GLU166 4.2 41.1 1.0
NZ D:LYS392 4.4 30.0 1.0
CB D:ASP244 4.4 32.0 1.0
OE1 D:GLU289 4.4 27.9 1.0
OD1 D:ASP316 4.4 28.5 1.0
CG D:GLU289 4.5 32.3 1.0
CB D:ALA246 4.7 30.4 1.0
NZ D:LYS341 4.8 40.4 1.0
OD2 D:ASP290 4.8 42.7 1.0
CD D:GLN165 4.8 52.6 1.0
CD D:GLU166 4.8 40.6 1.0
CD2 D:LEU339 4.9 30.4 1.0

Magnesium binding site 5 out of 8 in 3uj2

Go back to Magnesium Binding Sites List in 3uj2
Magnesium binding site 5 out of 8 in the Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg430

b:37.6
occ:1.00
O E:HOH1233 2.1 34.3 1.0
O E:HOH1612 2.1 41.7 1.0
O E:HOH443 2.1 33.0 1.0
OD2 E:ASP244 2.1 32.9 1.0
OD2 E:ASP316 2.2 27.8 1.0
OE2 E:GLU289 2.3 27.3 1.0
CG E:ASP244 3.2 36.9 1.0
CG E:ASP316 3.4 29.2 1.0
OD1 E:ASP244 3.5 31.2 1.0
CD E:GLU289 3.6 37.6 1.0
NE2 E:GLN165 3.6 53.6 1.0
CB E:ASP316 4.1 31.9 1.0
OE2 E:GLU166 4.1 29.3 1.0
NZ E:LYS392 4.3 37.1 1.0
CG E:GLU289 4.4 26.1 1.0
OD1 E:ASP316 4.4 27.8 1.0
OE1 E:GLU289 4.5 30.2 1.0
CB E:ASP244 4.5 34.4 1.0
CB E:ALA246 4.6 28.4 1.0
OD2 E:ASP290 4.7 36.5 1.0
CD E:GLN165 4.7 50.0 1.0
CD E:GLU166 4.9 38.6 1.0
NZ E:LYS341 4.9 31.6 1.0

Magnesium binding site 6 out of 8 in 3uj2

Go back to Magnesium Binding Sites List in 3uj2
Magnesium binding site 6 out of 8 in the Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg430

b:41.8
occ:1.00
OD2 F:ASP244 2.0 32.7 1.0
O F:HOH961 2.1 31.4 1.0
O F:HOH432 2.1 45.8 1.0
O F:HOH1621 2.1 49.9 1.0
OD2 F:ASP316 2.1 36.9 1.0
OE2 F:GLU289 2.2 36.4 1.0
CG F:ASP244 3.0 26.7 1.0
CG F:ASP316 3.3 25.7 1.0
CD F:GLU289 3.3 37.5 1.0
OD1 F:ASP244 3.4 22.4 1.0
NE2 F:GLN165 3.8 58.6 1.0
CB F:ASP316 3.9 20.6 1.0
OE1 F:GLU289 4.1 34.0 1.0
NZ F:LYS392 4.1 30.4 1.0
OE2 F:GLU166 4.1 24.7 1.0
CG F:GLU289 4.3 29.4 1.0
OD1 F:ASP316 4.3 20.7 1.0
CB F:ASP244 4.4 20.4 1.0
NZ F:LYS341 4.5 27.6 1.0
OD2 F:ASP290 4.6 31.2 1.0
CD2 F:LEU339 4.7 20.2 1.0
CB F:ALA246 4.8 40.4 1.0
CD F:GLU166 4.9 30.8 1.0

Magnesium binding site 7 out of 8 in 3uj2

Go back to Magnesium Binding Sites List in 3uj2
Magnesium binding site 7 out of 8 in the Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mg431

b:32.3
occ:1.00
O G:HOH1220 2.1 22.9 1.0
O G:HOH439 2.1 26.6 1.0
OD2 G:ASP244 2.1 39.7 1.0
O G:HOH1228 2.1 31.7 1.0
OE2 G:GLU289 2.1 26.9 1.0
OD2 G:ASP316 2.3 35.5 1.0
CG G:ASP244 3.0 35.1 1.0
OD1 G:ASP244 3.2 31.6 1.0
CD G:GLU289 3.3 33.3 1.0
CG G:ASP316 3.3 36.0 1.0
CB G:ASP316 3.7 26.6 1.0
NE2 G:GLN165 4.0 48.8 1.0
OE1 G:GLU289 4.2 22.1 1.0
CG G:GLU289 4.2 27.3 1.0
NZ G:LYS392 4.3 44.4 1.0
OE2 G:GLU166 4.3 33.9 1.0
CB G:ASP244 4.3 23.1 1.0
OD2 G:ASP290 4.4 30.4 1.0
OD1 G:ASP316 4.4 27.9 1.0
CD2 G:LEU339 4.5 29.1 1.0
NZ G:LYS341 4.6 33.7 1.0
CD G:GLU166 4.9 35.3 1.0
CB G:ALA246 4.9 27.6 1.0

Magnesium binding site 8 out of 8 in 3uj2

Go back to Magnesium Binding Sites List in 3uj2
Magnesium binding site 8 out of 8 in the Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mg430

b:59.0
occ:1.00
OD2 H:ASP244 2.1 43.4 1.0
O H:HOH980 2.1 34.0 1.0
O H:HOH1649 2.1 49.1 1.0
OD2 H:ASP316 2.3 41.1 1.0
OE2 H:GLU289 2.4 43.4 1.0
CG H:ASP244 3.1 38.1 1.0
NE2 H:GLN165 3.4 63.8 1.0
OD1 H:ASP244 3.4 39.6 1.0
CG H:ASP316 3.5 42.4 1.0
CD H:GLU289 3.7 49.2 1.0
OE2 H:GLU166 4.0 44.9 1.0
CB H:ASP316 4.2 35.6 1.0
CB H:ASP244 4.4 25.4 1.0
OD1 H:ASP316 4.5 46.6 1.0
NZ H:LYS392 4.5 35.7 1.0
OE1 H:GLU289 4.5 45.3 1.0
CG H:GLU289 4.6 46.8 1.0
OD2 H:ASP290 4.6 47.0 1.0
CB H:ALA246 4.7 37.4 1.0
CD H:GLN165 4.7 58.9 1.0
NZ H:LYS341 4.7 43.9 1.0
CD H:GLU166 4.8 51.6 1.0

Reference:

M.W.Vetting, R.Toro, R.Bhosle, B.Hillerich, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of An Enolase From Anaerostipes Caccae (Efi Target Efi-502054) with Bound Mg and Sulfate To Be Published.
Page generated: Mon Dec 14 08:56:46 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy