Magnesium in PDB 4it1: Crystal Structure of Enolase PFL01_3283 (Target Efi-502286) From Pseudomonas Fluorescens PF0-1 with Bound Magnesium, Potassium and Tartrate

The structure of Crystal Structure of Enolase PFL01_3283 (Target Efi-502286) From Pseudomonas Fluorescens PF0-1 with Bound Magnesium, Potassium and Tartrate, PDB code: 4it1 was solved by Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, N.Al Obaidi, M.Stead, J.Love, J.A.Gerlt, S.C.Almo, Enzyme Functioninitiative (Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.40 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	82.321, 147.695, 173.195, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 25

The structure of Crystal Structure of Enolase PFL01_3283 (Target Efi-502286) From Pseudomonas Fluorescens PF0-1 with Bound Magnesium, Potassium and Tartrate also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Enolase PFL01_3283 (Target Efi-502286) From Pseudomonas Fluorescens PF0-1 with Bound Magnesium, Potassium and Tartrate (pdb code 4it1). 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 Enolase PFL01_3283 (Target Efi-502286) From Pseudomonas Fluorescens PF0-1 with Bound Magnesium, Potassium and Tartrate, PDB code: 4it1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Enolase PFL01_3283 (Target Efi-502286) From Pseudomonas Fluorescens PF0-1 with Bound Magnesium, Potassium and Tartrate


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 Enolase PFL01_3283 (Target Efi-502286) From Pseudomonas Fluorescens PF0-1 with Bound Magnesium, Potassium and Tartrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:53.2 occ:1.00 OD2 A:ASP221 2.0 44.1 1.0 O A:HOH604 2.0 55.9 1.0 OE2 A:GLU246 2.1 58.2 1.0 O A:HOH601 2.1 44.8 1.0 O A:HOH603 2.2 41.5 1.0 OD1 A:ASN269 2.2 47.1 1.0 CG A:ASN269 3.0 41.7 1.0 CG A:ASP221 3.1 53.6 1.0 CD A:GLU246 3.2 55.7 1.0 ND2 A:ASN269 3.2 55.2 1.0 OD1 A:ASP221 3.5 49.7 1.0 ND2 A:ASN223 3.8 53.7 1.0 OE1 A:GLU246 3.8 62.7 1.0 O1 A:TLA502 4.0 80.8 1.0 O A:HOH602 4.0 52.5 1.0 OD2 A:ASP247 4.2 41.0 1.0 NZ A:LYS193 4.2 44.3 1.0 O A:HOH646 4.2 64.7 1.0 CG A:GLU246 4.3 50.7 1.0 CB A:ASP221 4.4 50.2 1.0 CB A:ASN269 4.5 41.4 1.0 OH A:TYR147 4.5 74.5 1.0 CG A:ASN223 4.7 51.0 1.0 N A:ASN269 4.8 42.2 1.0 C1 A:TLA502 4.9 76.0 1.0 OD1 A:ASN223 4.9 46.4 1.0 CA A:ASN269 5.0 44.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Enolase PFL01_3283 (Target Efi-502286) From Pseudomonas Fluorescens PF0-1 with Bound Magnesium, Potassium and Tartrate


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 Enolase PFL01_3283 (Target Efi-502286) From Pseudomonas Fluorescens PF0-1 with Bound Magnesium, Potassium and Tartrate within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg501 b:35.0 occ:1.00 OE2 D:GLU246 1.9 39.3 1.0 O D:HOH602 2.1 27.4 1.0 OD1 D:ASN269 2.1 30.1 1.0 O D:HOH603 2.1 32.6 1.0 OD2 D:ASP221 2.2 30.8 1.0 O D:HOH607 2.3 31.7 1.0 CG D:ASN269 3.0 31.4 1.0 CG D:ASP221 3.1 29.2 1.0 CD D:GLU246 3.1 39.2 1.0 ND2 D:ASN269 3.3 35.6 1.0 OD1 D:ASP221 3.4 31.3 1.0 OD2 D:ASP247 3.9 39.8 1.0 ND2 D:ASN223 3.9 42.0 1.0 O D:HOH601 3.9 29.4 1.0 CG D:GLU246 4.0 29.6 1.0 OE1 D:GLU246 4.0 36.1 1.0 O D:HOH819 4.2 23.8 0.5 O1 D:TLA502 4.2 53.5 1.0 NZ D:LYS193 4.3 30.9 1.0 CB D:ASP221 4.4 28.7 1.0 CB D:ASN269 4.4 30.5 1.0 N D:ASN269 4.5 28.0 1.0 O D:HOH608 4.7 42.8 1.0 CG D:ASN223 4.7 38.5 1.0 CG D:MET270 4.8 36.8 1.0 CA D:ASN269 4.8 32.8 1.0 OH D:TYR147 4.9 36.2 1.0 OD1 D:ASN223 4.9 41.4 1.0 CG D:ASP247 4.9 35.5 1.0 C D:ASN269 5.0 31.7 1.0

Y.Patskovsky, R.Toro, R.Bhosle, B.Hillerich, R.D.Seidel, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, N.Al Obaidi, M.Stead, J.Love, J.A.Gerlt, S.C.Almo. Crystal Structure of Enolase PFL01_3283 From Pseudomonas Fluorescens To Be Published.