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Magnesium in PDB 3t6c: Crystal Structure of An Enolase From Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg

Protein crystallography data

The structure of Crystal Structure of An Enolase From Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg, PDB code: 3t6c was solved by M.W.Vetting, R.Toro, R.Bhosle, S.R.Wasserman, L.L.Morisco, 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) 21.22 / 1.60
Space group P 4 21 2
Cell size a, b, c (Å), α, β, γ (°) 130.790, 130.790, 104.680, 90.00, 90.00, 90.00
R / Rfree (%) 13.9 / 16.8

Other elements in 3t6c:

The structure of Crystal Structure of An Enolase From Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of An Enolase From Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg (pdb code 3t6c). 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 An Enolase From Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg, PDB code: 3t6c:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3t6c

Go back to Magnesium Binding Sites List in 3t6c
Magnesium binding site 1 out of 2 in the Crystal Structure of An Enolase From Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg


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 Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:8.0
occ:1.00
OD2 A:ASP223 2.0 8.4 1.0
OE2 A:GLU249 2.1 8.9 1.0
O A:HOH420 2.1 8.6 1.0
O12 A:GCO601 2.1 9.4 1.0
OE1 A:GLU275 2.2 9.8 1.0
O2 A:GCO601 2.2 10.2 1.0
C1 A:GCO601 2.9 12.6 1.0
C2 A:GCO601 3.0 13.4 1.0
CD A:GLU249 3.0 9.7 1.0
CG A:ASP223 3.0 8.7 1.0
CD A:GLU275 3.1 11.1 1.0
OE2 A:GLU275 3.3 9.5 1.0
OD1 A:ASP223 3.4 9.0 1.0
OE1 A:GLU249 3.7 11.2 1.0
NH2 A:ARG296 3.9 9.2 1.0
O A:HOH453 4.0 11.5 1.0
CG A:GLU249 4.0 8.4 1.0
CD2 A:HIS225 4.1 9.9 1.0
O11 A:GCO601 4.1 11.7 1.0
O A:HOH450 4.2 11.0 1.0
OD2 A:ASP250 4.2 10.0 1.0
CB A:ASP223 4.3 10.2 1.0
NH1 A:ARG152 4.4 16.7 1.0
C3 A:GCO601 4.4 15.7 1.0
CG A:GLU275 4.4 8.9 1.0
OH A:TYR158 4.5 20.0 1.0
NE2 A:HIS225 4.7 11.2 1.0
O3 A:GCO601 4.8 15.7 1.0
CG A:ASP250 4.8 10.5 1.0
CZ A:ARG296 4.9 9.1 1.0
NE A:ARG296 4.9 9.4 1.0
CG A:HIS225 5.0 8.8 1.0

Magnesium binding site 2 out of 2 in 3t6c

Go back to Magnesium Binding Sites List in 3t6c
Magnesium binding site 2 out of 2 in the Crystal Structure of An Enolase From Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg


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 Pantoea Ananatis (Efi Target Efi- 501676) with Bound D-Gluconate and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg501

b:8.2
occ:1.00
OE2 B:GLU249 2.1 8.6 1.0
OD2 B:ASP223 2.1 10.3 1.0
O B:HOH440 2.1 10.5 1.0
OE1 B:GLU275 2.1 8.9 1.0
O12 B:GCO601 2.1 10.8 1.0
O2 B:GCO601 2.2 11.4 1.0
C1 B:GCO601 2.9 14.6 1.0
C2 B:GCO601 3.0 15.4 1.0
CD B:GLU249 3.0 9.1 1.0
CD B:GLU275 3.0 9.4 1.0
CG B:ASP223 3.1 10.8 1.0
OE2 B:GLU275 3.2 10.4 1.0
OD1 B:ASP223 3.4 9.9 1.0
OE1 B:GLU249 3.7 11.6 1.0
NH2 B:ARG296 3.8 10.3 1.0
CG B:GLU249 4.0 7.3 1.0
O B:HOH455 4.0 10.9 1.0
O B:HOH437 4.1 10.3 1.0
CD2 B:HIS225 4.2 13.2 1.0
O11 B:GCO601 4.2 13.0 1.0
OD2 B:ASP250 4.2 11.8 1.0
NH2 B:ARG152 4.2 30.6 1.0
CB B:ASP223 4.4 9.1 1.0
CG B:GLU275 4.4 8.3 1.0
C3 B:GCO601 4.4 23.7 1.0
O3 B:GCO601 4.6 26.8 1.0
NE2 B:HIS225 4.7 14.4 1.0
CG B:ASP250 4.8 10.0 1.0
CZ B:ARG296 4.9 9.7 1.0
NE B:ARG296 4.9 9.5 1.0
CG B:HIS225 5.0 10.2 1.0
CB B:GLU275 5.0 6.4 1.0
CD2 B:HIS325 5.0 14.1 1.0

Reference:

M.W.Vetting, R.Toro, R.Bhosle, S.R.Wasserman, L.L.Morisco, 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 Pantoea Ananatis (Efi Target Efi-501676) with Bound D-Gluconate and Mg To Be Published.
Page generated: Mon Dec 14 08:53:36 2020

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