Magnesium in PDB 4qq8: Crystal Structure of the Formolase Fls in Space Group P 43 21 2

The structure of Crystal Structure of the Formolase Fls in Space Group P 43 21 2, PDB code: 4qq8 was solved by B.W.Shen, J.B.Siegel, B.L.Stoddard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	127.52 / 2.88
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	144.742, 144.742, 269.553, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 19.9

The binding sites of Magnesium atom in the Crystal Structure of the Formolase Fls in Space Group P 43 21 2 (pdb code 4qq8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of the Formolase Fls in Space Group P 43 21 2, PDB code: 4qq8:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of the Formolase Fls in Space Group P 43 21 2


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 the Formolase Fls in Space Group P 43 21 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:39.0 occ:1.00 O1A A:TPP602 1.9 45.9 1.0 O A:SER477 2.0 47.5 1.0 O1B A:TPP602 2.0 43.5 1.0 O A:HOH703 2.1 33.0 1.0 OD1 A:ASN475 2.2 42.8 1.0 OD1 A:ASP448 2.2 46.1 1.0 CG A:ASN475 3.1 44.5 1.0 PA A:TPP602 3.1 44.1 1.0 PB A:TPP602 3.2 44.2 1.0 C A:SER477 3.2 46.3 1.0 ND2 A:ASN475 3.4 45.8 1.0 O3A A:TPP602 3.4 44.7 1.0 CG A:ASP448 3.4 47.6 1.0 N A:GLY479 3.7 50.0 1.0 O2B A:TPP602 3.8 44.0 1.0 O7 A:TPP602 3.8 46.6 1.0 N A:ASP448 4.0 49.3 1.0 N A:SER477 4.0 46.5 1.0 OD2 A:ASP448 4.0 48.3 1.0 CA A:SER477 4.1 46.9 1.0 OG A:SER477 4.1 48.0 1.0 N A:TRP478 4.2 45.9 1.0 N A:GLY449 4.2 46.0 1.0 CA A:GLY479 4.3 51.5 1.0 CA A:TRP478 4.4 46.6 1.0 O3B A:TPP602 4.4 43.0 1.0 O2A A:TPP602 4.4 40.9 1.0 CB A:ASN475 4.5 45.7 1.0 N A:ASN475 4.5 46.6 1.0 O A:MET473 4.5 45.9 1.0 C A:TRP478 4.5 48.5 1.0 CB A:ASP448 4.6 49.1 1.0 CA A:ASP448 4.6 48.9 1.0 CA A:GLY447 4.7 48.0 1.0 C A:GLY447 4.7 48.6 1.0 CB A:SER477 4.8 48.2 1.0 CA A:ASN475 4.9 47.1 1.0 C A:ASN475 4.9 48.8 1.0 C A:ASP448 4.9 47.6 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of the Formolase Fls in Space Group P 43 21 2


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 the Formolase Fls in Space Group P 43 21 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:34.7 occ:1.00 O1A B:TPP602 2.0 48.2 1.0 O3B B:TPP602 2.0 46.8 1.0 OD1 B:ASP448 2.1 48.0 1.0 OD1 B:ASN475 2.1 52.7 1.0 O B:SER477 2.6 45.6 1.0 CG B:ASN475 3.0 52.9 1.0 PB B:TPP602 3.1 47.2 1.0 O1B B:TPP602 3.2 48.0 1.0 ND2 B:ASN475 3.3 53.6 1.0 PA B:TPP602 3.3 46.2 1.0 CG B:ASP448 3.3 48.7 1.0 O3A B:TPP602 3.6 46.6 1.0 N B:ASP448 3.6 47.5 1.0 O B:MET473 3.8 54.8 1.0 C B:SER477 3.8 47.9 1.0 N B:ASN475 4.1 52.1 1.0 OD2 B:ASP448 4.1 50.6 1.0 CA B:GLY447 4.3 46.0 1.0 O7 B:TPP602 4.3 49.6 1.0 O2A B:TPP602 4.3 43.9 1.0 N B:GLY479 4.3 50.7 1.0 N B:GLY449 4.3 48.0 1.0 CB B:ASN475 4.3 52.5 1.0 CB B:ASP448 4.4 48.2 1.0 C B:GLY447 4.4 46.2 1.0 O2B B:TPP602 4.4 46.0 1.0 N B:SER477 4.4 51.5 1.0 CA B:ASP448 4.4 47.2 1.0 OG B:SER477 4.6 53.9 1.0 CA B:ASN475 4.6 53.3 1.0 CA B:SER477 4.6 50.5 1.0 CA B:GLY479 4.7 49.4 1.0 N B:TRP478 4.8 47.3 1.0 OG1 B:THR396 4.9 56.4 1.0 C B:ASN475 4.9 54.0 1.0 C B:ASP448 4.9 47.0 1.0 C B:MET473 5.0 54.4 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of the Formolase Fls in Space Group P 43 21 2


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 the Formolase Fls in Space Group P 43 21 2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg601 b:33.4 occ:1.00 OD1 C:ASP448 2.0 39.5 1.0 O C:SER477 2.0 39.6 1.0 O1A C:TPP602 2.0 38.2 1.0 O A:HOH704 2.0 28.5 1.0 O3B C:TPP602 2.2 40.5 1.0 OD1 C:ASN475 2.2 38.5 1.0 CG C:ASP448 3.2 40.6 1.0 CG C:ASN475 3.2 38.5 1.0 PA C:TPP602 3.2 37.1 1.0 C C:SER477 3.2 39.7 1.0 PB C:TPP602 3.3 40.6 1.0 O3A C:TPP602 3.6 38.9 1.0 ND2 C:ASN475 3.6 37.0 1.0 N C:ASP448 3.7 39.0 1.0 OD2 C:ASP448 3.8 40.2 1.0 O7 C:TPP602 3.8 41.5 1.0 N C:GLY479 3.9 42.6 1.0 N C:SER477 4.0 41.6 1.0 N C:GLY449 4.0 40.7 1.0 O1B C:TPP602 4.0 38.8 1.0 CA C:SER477 4.1 40.0 1.0 N C:TRP478 4.2 40.8 1.0 OG C:SER477 4.3 37.8 1.0 CB C:ASP448 4.3 41.0 1.0 CA C:ASP448 4.4 39.3 1.0 O C:MET473 4.4 49.8 1.0 N C:ASN475 4.4 44.8 1.0 CA C:TRP478 4.4 41.4 1.0 O2A C:TPP602 4.5 35.1 1.0 C C:GLY447 4.5 39.4 1.0 CA C:GLY479 4.5 42.0 1.0 O2B C:TPP602 4.5 40.9 1.0 CB C:ASN475 4.6 40.9 1.0 CA C:GLY447 4.6 38.7 1.0 C C:ASP448 4.6 40.2 1.0 C C:TRP478 4.7 43.0 1.0 CA C:ASN475 4.8 43.0 1.0 CB C:SER477 4.9 39.1 1.0 C C:ASN475 4.9 43.1 1.0 CA C:GLY449 4.9 42.3 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of the Formolase Fls in Space Group P 43 21 2


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 the Formolase Fls in Space Group P 43 21 2 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg601 b:37.1 occ:1.00 O1A D:TPP602 1.9 43.5 1.0 O A:HOH705 1.9 40.1 1.0 O D:SER477 2.0 48.1 1.0 OD1 D:ASP448 2.0 48.9 1.0 O3B D:TPP602 2.2 42.5 1.0 OD1 D:ASN475 2.3 48.0 1.0 PA D:TPP602 3.1 42.7 1.0 CG D:ASP448 3.2 52.8 1.0 C D:SER477 3.2 48.0 1.0 PB D:TPP602 3.3 43.0 1.0 CG D:ASN475 3.3 47.7 1.0 O3A D:TPP602 3.3 43.4 1.0 ND2 D:ASN475 3.7 48.9 1.0 O7 D:TPP602 3.7 46.0 1.0 N D:ASP448 3.8 46.9 1.0 N D:GLY479 3.9 47.0 1.0 OD2 D:ASP448 3.9 55.4 1.0 N D:GLY449 4.0 56.9 1.0 N D:SER477 4.0 51.4 1.0 CA D:SER477 4.1 50.8 1.0 N D:TRP478 4.2 46.2 1.0 O2B D:TPP602 4.2 42.4 1.0 OG D:SER477 4.3 50.3 1.0 CB D:ASP448 4.3 51.5 1.0 CA D:TRP478 4.4 47.2 1.0 O2A D:TPP602 4.4 40.7 1.0 CA D:ASP448 4.4 50.1 1.0 O1B D:TPP602 4.4 42.4 1.0 O D:MET473 4.5 52.5 1.0 N D:ASN475 4.5 49.6 1.0 CA D:GLY479 4.5 48.5 1.0 C D:GLY447 4.5 44.9 1.0 CA D:GLY447 4.6 44.2 1.0 C D:TRP478 4.6 46.6 1.0 C D:ASP448 4.6 53.2 1.0 CB D:ASN475 4.7 49.4 1.0 CA D:GLY449 4.9 55.6 1.0 CB D:SER477 4.9 51.1 1.0 CA D:ASN475 4.9 50.2 1.0 C D:ASN475 4.9 50.6 1.0

J.B.Siegel, A.L Smith, S.Poust, A.Wargacki, A.Bar-Even, C.Louw, B.W.Shen, C.B.Eiben, H.Tran, E.Noor. Computational Protein Design Enables A Novel One-Carbon Assimilation Pathway To Be Published.