Calcium in PDB 6szi: Asr Alternansucrase in Complex with Isomaltose

All present enzymatic activity of Asr Alternansucrase in Complex with Isomaltose:
2.4.1.140;

The structure of Asr Alternansucrase in Complex with Isomaltose, PDB code: 6szi was solved by G.Cioci, M.Molina, C.Moulis, M.Remaud-Simeon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	118.02 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	100.739, 134.691, 236.045, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 23.7

The binding sites of Calcium atom in the Asr Alternansucrase in Complex with Isomaltose (pdb code 6szi). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Asr Alternansucrase in Complex with Isomaltose, PDB code: 6szi:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Asr Alternansucrase in Complex with Isomaltose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Asr Alternansucrase in Complex with Isomaltose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1501 b:67.0 occ:1.00 OD1 A:ASP595 1.8 68.0 1.0 OE2 A:GLU589 1.9 63.9 1.0 O A:ASN639 2.2 57.1 1.0 O A:GLU589 2.2 53.9 1.0 OD1 A:ASP1173 2.2 60.4 1.0 CG A:ASP595 2.6 60.4 1.0 OD2 A:ASP595 2.8 66.0 1.0 CD A:GLU589 2.9 59.3 1.0 C A:GLU589 3.3 52.0 1.0 CG A:GLU589 3.4 56.3 1.0 C A:ASN639 3.4 55.4 1.0 CG A:ASP1173 3.4 54.0 1.0 CA A:GLU589 3.8 53.8 1.0 OE1 A:GLU589 4.0 58.4 1.0 OD2 A:ASP1173 4.1 50.8 1.0 CB A:ASP595 4.1 54.6 1.0 CB A:GLU589 4.1 55.2 1.0 N A:VAL640 4.3 50.5 1.0 CA A:VAL640 4.3 50.9 1.0 O A:ASP1173 4.3 60.5 1.0 CG1 A:VAL640 4.4 49.9 1.0 CB A:ASN639 4.4 55.0 1.0 CA A:ASN639 4.4 56.7 1.0 N A:PHE590 4.5 50.9 1.0 O A:ILE596 4.5 64.2 1.0 CB A:ASP1173 4.6 55.5 1.0 ND2 A:ASN1263 4.6 62.4 1.0 CA A:PHE590 4.9 57.2 1.0 CA A:ASP1173 4.9 58.5 1.0 CB A:VAL640 4.9 50.7 1.0 CA A:ASP595 4.9 53.1 1.0

Calcium binding site 2 out of 2 in the Asr Alternansucrase in Complex with Isomaltose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Asr Alternansucrase in Complex with Isomaltose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2000 b:80.3 occ:1.00 OD1 B:ASP595 1.3 82.6 1.0 OD1 B:ASP1173 1.9 71.4 1.0 OE2 B:GLU589 2.3 73.7 1.0 CG B:ASP595 2.3 74.1 1.0 O B:GLU589 2.4 57.0 1.0 O B:ASN639 2.5 50.7 1.0 OD2 B:ASP595 2.8 81.5 1.0 CG B:ASP1173 3.1 63.5 1.0 CD B:GLU589 3.4 69.6 1.0 C B:GLU589 3.5 57.0 1.0 OD2 B:ASP1173 3.7 63.2 1.0 CB B:ASP595 3.7 66.1 1.0 C B:ASN639 3.7 55.2 1.0 CG B:GLU589 3.8 62.5 1.0 O B:ASP1173 3.9 60.4 1.0 CA B:GLU589 4.2 60.0 1.0 CB B:ASP1173 4.3 64.0 1.0 O B:ILE596 4.3 63.3 1.0 CG1 B:VAL640 4.4 52.1 1.0 OE1 B:GLU589 4.5 74.7 1.0 CA B:ASP595 4.5 61.9 1.0 CA B:ASP1173 4.5 65.3 1.0 CA B:VAL640 4.5 56.4 1.0 CB B:GLU589 4.6 60.1 1.0 N B:VAL640 4.6 57.0 1.0 C B:ASP1173 4.6 62.6 1.0 CB B:ASN639 4.6 56.6 1.0 N B:PHE590 4.6 53.8 1.0 CA B:ASN639 4.7 56.7 1.0 ND2 B:ASN1263 4.8 70.0 1.0 N B:ILE596 4.8 65.8 1.0 CA B:PHE590 4.8 55.2 1.0 C B:ASP595 4.9 61.7 1.0

M.Molina, C.Moulis, N.Monties, D.Guieysse, S.Morel, G.Cioci, M.Remaud-Simeon. A Specific Oligosaccharide-Binding Site in Alternansucrase Catalytic Domain Mediates Alternan Elongation. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 32409580
DOI: 10.1074/JBC.RA120.013028