Magnesium in PDB 1k6d: Crystal Structure of Acetate Coa-Transferase Alpha Subunit

All present enzymatic activity of Crystal Structure of Acetate Coa-Transferase Alpha Subunit:
2.8.3.8;

The structure of Crystal Structure of Acetate Coa-Transferase Alpha Subunit, PDB code: 1k6d was solved by S.Korolev, O.Koroleva, K.Petterson, F.Collart, I.Dementieva, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.00 / 1.90
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	88.496, 88.496, 105.080, 90.00, 90.00, 120.00
R / Rfree (%)	20.1 / 23.5

The binding sites of Magnesium atom in the Crystal Structure of Acetate Coa-Transferase Alpha Subunit (pdb code 1k6d). 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 Acetate Coa-Transferase Alpha Subunit, PDB code: 1k6d:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Acetate Coa-Transferase Alpha Subunit


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 Acetate Coa-Transferase Alpha Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:42.5 occ:1.00 O A:HOH341 2.8 30.6 1.0 O A:HOH382 2.8 37.1 1.0 O A:HOH371 2.9 32.0 1.0 O B:HOH385 2.9 43.4 1.0 O A:HIS202 3.7 26.1 1.0 CG2 B:VAL204 3.8 25.0 1.0 CG2 A:VAL204 3.8 25.8 1.0 CA A:HIS202 4.0 29.9 1.0 C A:HIS202 4.1 26.6 1.0 O B:HIS202 4.1 25.6 1.0 O B:ASP201 4.2 35.4 1.0 CA B:HIS202 4.3 33.4 1.0 O A:HOH390 4.4 35.1 1.0 C B:HIS202 4.4 27.9 1.0 O A:ASP201 4.5 27.6 1.0 O B:HOH372 4.6 44.0 1.0 CB A:HIS202 4.6 33.1 1.0 ND1 A:HIS202 4.7 40.9 1.0 NH1 A:ARG172 4.8 43.1 1.0 O B:HOH324 4.8 28.8 1.0 O A:ILE203 4.8 24.8 1.0 O A:HOH350 4.9 32.5 1.0 NH1 B:ARG172 4.9 43.7 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Acetate Coa-Transferase Alpha Subunit


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 Acetate Coa-Transferase Alpha Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:43.6 occ:1.00 O A:HOH418 2.0 49.1 1.0 O A:HOH419 2.1 48.7 1.0 O A:HOH334 2.5 30.1 1.0 O A:HOH416 2.5 50.4 1.0 O A:HOH373 2.6 42.8 1.0 O A:HOH414 2.7 47.0 1.0 O A:ASP183 4.1 25.2 1.0 OD1 A:ASP211 4.2 30.2 1.0 O A:HOH324 4.2 31.0 1.0 OD2 A:ASP211 4.4 28.3 1.0 O A:VAL209 4.4 25.7 1.0 CA A:VAL209 4.6 25.7 1.0 O A:HOH343 4.6 39.5 1.0 O A:ALA208 4.6 23.7 1.0 CG A:ASP211 4.7 34.2 1.0 C A:VAL209 4.8 25.1 1.0 O A:ALA182 4.9 24.5 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Acetate Coa-Transferase Alpha Subunit


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 Acetate Coa-Transferase Alpha Subunit within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:50.9 occ:1.00 CD2 B:HIS77 2.7 32.7 1.0 O B:HOH310 2.8 23.4 1.0 OG1 B:THR80 2.8 35.2 1.0 N B:THR80 3.3 29.9 1.0 CE B:MET27 3.4 42.5 1.0 CG B:HIS77 3.5 32.6 1.0 N B:GLY79 3.5 27.9 1.0 C B:HIS77 3.6 22.7 1.0 O B:HIS77 3.6 21.1 1.0 N B:ILE78 3.6 21.0 1.0 C B:ILE78 3.7 25.9 1.0 CA B:ILE78 3.8 24.6 1.0 NE2 B:HIS77 3.8 38.6 1.0 CB B:THR80 3.8 33.7 1.0 CB B:HIS77 3.8 23.6 1.0 SD B:MET27 3.8 39.5 1.0 CG2 B:THR80 3.9 32.2 1.0 CB B:ASP53 4.0 17.6 1.0 CA B:THR80 4.1 33.2 1.0 C B:GLY79 4.3 31.1 1.0 CA B:GLY79 4.3 28.2 1.0 CA B:HIS77 4.3 20.9 1.0 O B:ALA55 4.4 29.3 1.0 O B:ILE78 4.4 25.2 1.0 N B:THR54 4.6 20.3 1.0 CG B:ASP53 4.7 24.9 1.0 ND1 B:HIS77 4.7 38.0 1.0 N B:ALA55 4.7 26.4 1.0 N B:ASN81 4.8 33.0 1.0 CE1 B:HIS77 4.8 37.7 1.0 C B:THR80 4.8 34.1 1.0 OD2 B:ASP53 4.9 22.8 1.0 OG1 B:THR54 5.0 23.7 1.0 CA B:ASP53 5.0 19.3 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Acetate Coa-Transferase Alpha Subunit


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 Acetate Coa-Transferase Alpha Subunit within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg303 b:42.2 occ:1.00 O B:HOH396 2.2 50.8 1.0 O B:HOH363 2.3 42.7 1.0 O B:HOH410 2.4 48.6 1.0 O B:HOH415 2.5 49.1 1.0 O B:HOH414 2.7 46.3 1.0 O B:ASP183 4.0 26.8 1.0 OD1 B:ASP211 4.2 32.7 1.0 O B:HOH314 4.3 26.7 1.0 O B:VAL209 4.4 26.6 1.0 OD2 B:ASP211 4.4 30.6 1.0 CA B:VAL209 4.5 27.0 1.0 O B:HOH325 4.6 34.7 1.0 O B:ALA208 4.6 30.7 1.0 C B:VAL209 4.7 25.5 1.0 O B:ALA182 4.7 25.0 1.0 CG B:ASP211 4.8 33.0 1.0 C B:ASP183 5.0 22.8 1.0

S.Korolev, O.Koroleva, K.Petterson, M.Gu, F.Collart, I.Dementieva, A.Joachimiak. Autotracing of Escherichia Coli Acetate Coa-Transferase Alpha-Subunit Structure Using 3.4 A Mad and 1.9 A Native Data. Acta Crystallogr.,Sect.D V. 58 2116 2002.
ISSN: ISSN 0907-4449
PubMed: 12454473
DOI: 10.1107/S0907444902017055