Magnesium in PDB 1tqy: The Actinorhodin Ketosynthase/Chain Length Factor

The structure of The Actinorhodin Ketosynthase/Chain Length Factor, PDB code: 1tqy was solved by A.T.Keatinge-Clay, D.A.Maltby, K.F.Medzihradszky, C.Khosla, R.M.Stroud, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	262.700, 262.700, 224.030, 90.00, 90.00, 120.00
R / Rfree (%)	23.3 / 25.3

The structure of The Actinorhodin Ketosynthase/Chain Length Factor also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

The binding sites of Magnesium atom in the The Actinorhodin Ketosynthase/Chain Length Factor (pdb code 1tqy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the The Actinorhodin Ketosynthase/Chain Length Factor, PDB code: 1tqy:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the The Actinorhodin Ketosynthase/Chain Length Factor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Actinorhodin Ketosynthase/Chain Length Factor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1095 b:51.4 occ:1.00 OD1 A:ASN307 2.0 30.0 1.0 O A:ASN307 2.2 29.3 1.0 OE1 A:GLU355 2.4 32.2 1.0 O A:ALA308 2.5 25.6 1.0 O A:VAL401 2.5 25.3 1.0 OG1 A:THR400 2.9 30.2 1.0 C A:ALA308 3.1 28.6 1.0 C A:ASN307 3.1 29.4 1.0 CD A:GLU355 3.1 30.7 1.0 CG A:ASN307 3.2 31.1 1.0 N A:VAL401 3.3 27.9 1.0 C A:VAL401 3.6 27.8 1.0 OE2 A:GLU355 3.6 33.6 1.0 N A:ALA308 3.7 28.7 1.0 CA A:ALA308 3.7 29.2 1.0 N A:HIS309 3.8 27.6 1.0 CB A:ASN307 3.8 30.2 1.0 CB A:THR400 4.0 30.4 1.0 CA A:THR400 4.0 29.9 1.0 CA A:VAL401 4.1 27.7 1.0 C A:THR400 4.1 29.2 1.0 CA A:ASN307 4.1 29.5 1.0 O A:HOH1141 4.1 27.3 1.0 CA A:HIS309 4.1 29.2 1.0 CG A:GLU355 4.2 26.0 1.0 ND2 A:ASN307 4.2 32.7 1.0 CB A:GLU355 4.3 23.9 1.0 O A:HOH1101 4.3 34.1 1.0 CG2 A:VAL401 4.7 25.1 1.0 N A:GLY402 4.8 26.4 1.0

Magnesium binding site 2 out of 4 in the The Actinorhodin Ketosynthase/Chain Length Factor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Actinorhodin Ketosynthase/Chain Length Factor within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1096 b:39.8 occ:1.00 OD1 C:ASN307 2.0 35.1 1.0 OE1 C:GLU355 2.2 34.7 1.0 O C:ASN307 2.2 30.0 1.0 O C:ALA308 2.5 24.9 1.0 OG1 C:THR400 2.7 30.7 1.0 O C:VAL401 2.8 27.0 1.0 CD C:GLU355 3.0 33.3 1.0 C C:ASN307 3.1 31.0 1.0 CG C:ASN307 3.2 35.2 1.0 C C:ALA308 3.2 27.8 1.0 N C:VAL401 3.4 28.3 1.0 OE2 C:GLU355 3.6 33.3 1.0 CB C:ASN307 3.8 32.7 1.0 C C:VAL401 3.8 28.4 1.0 N C:ALA308 3.8 29.6 1.0 CA C:ALA308 3.9 29.2 1.0 CB C:THR400 3.9 29.8 1.0 N C:HIS309 4.0 27.5 1.0 CG C:GLU355 4.0 28.8 1.0 CA C:ASN307 4.1 31.2 1.0 CB C:GLU355 4.1 26.2 1.0 CA C:THR400 4.1 29.7 1.0 C C:THR400 4.2 29.4 1.0 O C:HOH1107 4.2 31.4 1.0 CA C:VAL401 4.2 27.6 1.0 CA C:HIS309 4.3 28.7 1.0 ND2 C:ASN307 4.3 36.7 1.0 O C:HOH1119 4.3 27.9 1.0 CG2 C:VAL401 4.7 30.5 1.0 N C:GLY402 5.0 26.2 1.0

Magnesium binding site 3 out of 4 in the The Actinorhodin Ketosynthase/Chain Length Factor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Actinorhodin Ketosynthase/Chain Length Factor within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg1097 b:47.6 occ:1.00 OE1 E:GLU355 2.2 39.4 1.0 OD1 E:ASN307 2.2 41.5 1.0 O E:ASN307 2.6 39.0 1.0 O E:ALA308 2.6 36.9 1.0 O E:VAL401 2.6 34.0 1.0 CD E:GLU355 2.7 38.2 1.0 OG1 E:THR400 2.9 36.0 1.0 OE2 E:GLU355 3.0 40.9 1.0 C E:ALA308 3.2 37.8 1.0 CG E:ASN307 3.4 40.9 1.0 C E:ASN307 3.4 39.5 1.0 N E:VAL401 3.7 35.0 1.0 C E:VAL401 3.7 35.2 1.0 CG E:GLU355 3.9 36.3 1.0 N E:HIS309 3.9 38.2 1.0 O E:HOH1148 3.9 30.9 1.0 CB E:GLU355 4.0 35.6 1.0 N E:ALA308 4.0 38.6 1.0 CA E:ALA308 4.0 38.6 1.0 CB E:ASN307 4.1 40.7 1.0 CA E:HIS309 4.1 37.9 1.0 CB E:THR400 4.1 36.5 1.0 CA E:VAL401 4.3 35.8 1.0 C E:THR400 4.4 35.6 1.0 CA E:ASN307 4.4 40.0 1.0 CA E:THR400 4.4 35.8 1.0 ND2 E:ASN307 4.5 41.4 1.0 N E:GLY402 4.8 33.7 1.0 CG2 E:VAL401 4.9 34.4 1.0

Magnesium binding site 4 out of 4 in the The Actinorhodin Ketosynthase/Chain Length Factor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The Actinorhodin Ketosynthase/Chain Length Factor within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg1098 b:35.7 occ:1.00 OE1 G:GLU355 2.2 30.9 1.0 OD1 G:ASN307 2.3 32.6 1.0 O G:ALA308 2.5 26.3 1.0 O G:VAL401 2.6 25.1 1.0 O G:ASN307 2.8 28.0 1.0 OG1 G:THR400 2.8 28.9 1.0 CD G:GLU355 2.8 31.3 1.0 C G:ALA308 3.3 27.1 1.0 OE2 G:GLU355 3.4 33.4 1.0 CG G:ASN307 3.5 31.9 1.0 N G:VAL401 3.6 25.1 1.0 C G:ASN307 3.6 29.0 1.0 C G:VAL401 3.7 24.9 1.0 CG G:GLU355 3.7 28.8 1.0 O G:HOH1133 3.8 25.5 1.0 CB G:GLU355 3.9 23.9 1.0 N G:HIS309 3.9 26.1 1.0 CB G:THR400 4.1 28.8 1.0 CA G:HIS309 4.1 27.1 1.0 CA G:ALA308 4.1 27.4 1.0 N G:ALA308 4.2 28.7 1.0 C G:THR400 4.2 26.9 1.0 CA G:THR400 4.2 28.6 1.0 CA G:VAL401 4.3 24.9 1.0 CB G:ASN307 4.3 30.3 1.0 O G:HOH1140 4.4 31.7 1.0 ND2 G:ASN307 4.6 33.3 1.0 CA G:ASN307 4.6 28.4 1.0 N G:GLY402 4.8 24.7 1.0 CG2 G:VAL401 4.9 26.5 1.0 CB G:HIS309 5.0 27.2 1.0

A.T.Keatinge-Clay, D.A.Maltby, K.F.Medzihradszky, C.Khosla, R.M.Stroud. An Antibiotic Factory Caught in Action. Nat.Struct.Mol.Biol. V. 11 888 2004.
ISSN: ISSN 1545-9993
PubMed: 15286722
DOI: 10.1038/NSMB808