Magnesium in PDB 2w02: Co-Complex Structure of Achromobactin Synthetase Protein D (Acsd) with Atp From Pectobacterium Chrysanthemi

The structure of Co-Complex Structure of Achromobactin Synthetase Protein D (Acsd) with Atp From Pectobacterium Chrysanthemi, PDB code: 2w02 was solved by S.Schmelz, S.A.Mcmahon, N.Kadi, L.Song, D.Oves-Costales, M.Oke, H.Liu, K.A.Johnson, L.Carter, M.F.White, G.L.Challis, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.11 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	79.874, 94.542, 157.770, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 27.7

The binding sites of Magnesium atom in the Co-Complex Structure of Achromobactin Synthetase Protein D (Acsd) with Atp From Pectobacterium Chrysanthemi (pdb code 2w02). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Co-Complex Structure of Achromobactin Synthetase Protein D (Acsd) with Atp From Pectobacterium Chrysanthemi, PDB code: 2w02:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Co-Complex Structure of Achromobactin Synthetase Protein D (Acsd) with Atp From Pectobacterium Chrysanthemi


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Co-Complex Structure of Achromobactin Synthetase Protein D (Acsd) with Atp From Pectobacterium Chrysanthemi within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1589 b:22.4 occ:1.00 O3G A:ATP1588 2.2 17.6 1.0 OD1 A:ASN447 2.2 9.0 1.0 OE1 A:GLN446 2.3 12.0 1.0 OD2 A:ASP464 2.5 3.7 1.0 O1A A:ATP1588 2.5 15.6 1.0 O3A A:ATP1588 3.1 16.9 1.0 CD A:GLN446 3.3 12.8 1.0 CG A:ASN447 3.3 10.9 1.0 PA A:ATP1588 3.4 17.1 1.0 NE2 A:GLN446 3.5 8.1 1.0 CG A:ASP464 3.5 4.9 1.0 PG A:ATP1588 3.5 16.1 1.0 O1B A:ATP1588 3.8 17.7 1.0 CB A:ASP464 3.9 3.5 1.0 ND2 A:ASN447 3.9 8.4 1.0 O2G A:ATP1588 3.9 16.0 1.0 PB A:ATP1588 3.9 14.6 1.0 C5' A:ATP1588 4.0 15.7 1.0 O3B A:ATP1588 4.1 15.5 1.0 CE1 A:HIS444 4.2 14.9 1.0 O5' A:ATP1588 4.2 15.4 1.0 NE2 A:HIS444 4.3 14.8 1.0 CB A:ASN447 4.6 11.8 1.0 OD1 A:ASP464 4.6 6.0 1.0 CA A:ASN447 4.6 10.5 1.0 O2A A:ATP1588 4.6 18.0 1.0 O A:GLN446 4.6 11.8 1.0 CG A:GLN446 4.7 11.2 1.0 O1G A:ATP1588 4.7 14.5 1.0 N A:ASN447 4.7 11.4 1.0 C A:GLN446 4.7 11.3 1.0

Magnesium binding site 2 out of 2 in the Co-Complex Structure of Achromobactin Synthetase Protein D (Acsd) with Atp From Pectobacterium Chrysanthemi


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Co-Complex Structure of Achromobactin Synthetase Protein D (Acsd) with Atp From Pectobacterium Chrysanthemi within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1589 b:23.4 occ:1.00 O3G B:ATP1588 2.0 9.7 1.0 OE1 B:GLN446 2.2 10.3 1.0 OD1 B:ASN447 2.3 8.8 1.0 O1A B:ATP1588 2.4 7.4 1.0 O3A B:ATP1588 2.5 7.1 1.0 OD2 B:ASP464 2.5 4.4 1.0 PA B:ATP1588 3.0 7.5 1.0 CD B:GLN446 3.2 14.0 1.0 PG B:ATP1588 3.3 10.1 1.0 CG B:ASP464 3.3 4.1 1.0 CG B:ASN447 3.5 11.5 1.0 PB B:ATP1588 3.6 6.4 1.0 NE2 B:GLN446 3.6 9.0 1.0 O3B B:ATP1588 3.6 6.0 1.0 CB B:ASP464 3.7 4.9 1.0 O1B B:ATP1588 3.8 9.0 1.0 CE1 B:HIS444 3.9 15.9 1.0 O2G B:ATP1588 3.9 5.5 1.0 C5' B:ATP1588 4.0 10.3 1.0 O5' B:ATP1588 4.0 10.4 1.0 ND2 B:ASN447 4.1 7.7 1.0 O2A B:ATP1588 4.2 7.9 1.0 OD1 B:ASP464 4.3 7.5 1.0 NE2 B:HIS444 4.3 13.5 1.0 O1G B:ATP1588 4.5 5.3 1.0 CG B:GLN446 4.6 11.9 1.0 O B:GLN446 4.6 13.2 1.0 CB B:ASN447 4.7 11.5 1.0 CA B:ASN447 4.7 11.2 1.0 C B:GLN446 4.7 12.4 1.0 N B:ASN447 4.8 11.9 1.0 C4' B:ATP1588 4.9 9.5 1.0 O2B B:ATP1588 4.9 5.3 1.0 O B:HOH2137 4.9 22.5 1.0 CB B:GLN446 5.0 12.0 1.0

S.Schmelz, N.Kadi, S.A.Mcmahon, L.Song, D.Oves-Costales, M.Oke, H.Liu, K.A.Johnson, L.G.Carter, C.H.Botting, M.F.White, G.L.Challis, J.H.Naismith. Acsd Catalyzes Enantioselective Citrate Desymmetrization in Siderophore Biosynthesis. Nat. Chem. Biol. V. 5 174 2009.
ISSN: ESSN 1552-4469
PubMed: 19182782
DOI: 10.1038/NCHEMBIO.145