Calcium in PDB 6hvg: Crystal Structure of Truncated Alternansucrase From Leuconostoc Mesenteroides Nrrl B-1355

All present enzymatic activity of Crystal Structure of Truncated Alternansucrase From Leuconostoc Mesenteroides Nrrl B-1355:
2.4.1.140;

The structure of Crystal Structure of Truncated Alternansucrase From Leuconostoc Mesenteroides Nrrl B-1355, PDB code: 6hvg was solved by M.Molina, G.Cioci, C.Moulis, M.Remaud-Simeon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.82 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	101.235, 134.804, 237.035, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 23.7

The binding sites of Calcium atom in the Crystal Structure of Truncated Alternansucrase From Leuconostoc Mesenteroides Nrrl B-1355 (pdb code 6hvg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Truncated Alternansucrase From Leuconostoc Mesenteroides Nrrl B-1355, PDB code: 6hvg:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Truncated Alternansucrase From Leuconostoc Mesenteroides Nrrl B-1355


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Truncated Alternansucrase From Leuconostoc Mesenteroides Nrrl B-1355 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2000 b:47.2 occ:1.00 OD1 A:ASP595 1.9 38.7 1.0 OE2 A:GLU589 2.1 48.0 1.0 O A:GLU589 2.2 41.1 1.0 OD1 A:ASP1173 2.2 45.2 1.0 O A:ASN639 2.3 45.2 1.0 O A:HOH2141 2.4 40.8 1.0 CG A:ASP595 2.7 40.3 1.0 OD2 A:ASP595 2.9 48.6 1.0 CD A:GLU589 3.1 49.2 1.0 C A:GLU589 3.3 40.2 1.0 CG A:ASP1173 3.4 42.1 1.0 CG A:GLU589 3.5 47.2 1.0 C A:ASN639 3.5 43.1 1.0 CA A:GLU589 3.8 41.3 1.0 OD2 A:ASP1173 4.0 41.6 1.0 CB A:ASP595 4.1 41.3 1.0 O A:HOH2144 4.2 40.5 1.0 OE1 A:GLU589 4.2 47.1 1.0 CB A:GLU589 4.2 45.1 1.0 O A:ASP1173 4.3 52.6 1.0 CG1 A:VAL640 4.3 45.4 1.0 CA A:VAL640 4.3 41.5 1.0 N A:VAL640 4.3 40.9 1.0 O A:HOH2160 4.4 49.4 1.0 N A:PHE590 4.4 40.2 1.0 O A:ILE596 4.5 46.1 1.0 CB A:ASP1173 4.5 41.1 1.0 CB A:ASN639 4.5 44.7 1.0 CA A:ASN639 4.5 43.0 1.0 ND2 A:ASN1263 4.6 43.2 1.0 CA A:PHE590 4.8 41.9 1.0 CA A:ASP1173 4.8 41.9 1.0 CA A:ASP595 4.9 44.1 1.0 CB A:VAL640 4.9 45.0 1.0 C A:ASP1173 5.0 45.5 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Truncated Alternansucrase From Leuconostoc Mesenteroides Nrrl B-1355


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Truncated Alternansucrase From Leuconostoc Mesenteroides Nrrl B-1355 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca2000 b:56.5 occ:1.00 OD1 B:ASP595 1.9 41.4 1.0 OE1 B:GLU589 1.9 57.6 1.0 OD1 B:ASP1173 2.1 43.2 1.0 O B:ASN639 2.1 40.5 1.0 O B:HOH2120 2.4 39.7 1.0 O B:GLU589 2.7 39.7 1.0 CG B:ASP595 2.9 46.9 1.0 CD B:GLU589 3.1 52.3 1.0 OD2 B:ASP595 3.2 56.4 1.0 CG B:ASP1173 3.3 42.3 1.0 C B:ASN639 3.3 41.3 1.0 C B:GLU589 3.8 43.0 1.0 CG B:GLU589 3.8 48.4 1.0 CG1 B:VAL640 3.8 40.0 1.0 CA B:VAL640 3.9 39.8 1.0 O B:HOH2172 4.0 46.4 1.0 N B:VAL640 4.0 40.5 1.0 OD2 B:ASP1173 4.0 42.5 1.0 O B:ASP1173 4.1 46.7 1.0 OE2 B:GLU589 4.1 54.1 1.0 CA B:GLU589 4.2 43.6 1.0 CB B:ASP595 4.2 44.7 1.0 CB B:ASP1173 4.3 43.5 1.0 O B:ILE596 4.3 48.7 1.0 CB B:VAL640 4.4 40.4 1.0 CA B:ASP1173 4.5 44.2 1.0 CA B:ASN639 4.5 41.9 1.0 CB B:ASN639 4.6 40.5 1.0 CB B:GLU589 4.6 45.6 1.0 C B:ASP1173 4.7 45.7 1.0 ND2 B:ASN1263 4.7 44.1 1.0 ND2 B:ASN598 4.8 48.2 1.0 CA B:ASP595 4.8 46.2 1.0 N B:PHE590 4.9 41.9 1.0

M.Molina, C.Moulis, N.Monties, S.Pizzut-Serin, D.Guieysse, S.Morel, G.Cioci, M.Remaud-Simeon. Deciphering An Undecided Enzyme: Investigations of the Structural Determinants Involved in the Linkage Specificity of Alternansucrase Acs Catalysis 2019.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.8B04510