Calcium in PDB 9jlm: Crystal Structure of Aldolase Atob 1.9A

The structure of Crystal Structure of Aldolase Atob 1.9A, PDB code: 9jlm was solved by K.Ma, A.Fan, W.Lin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.08 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.228, 70.074, 51.834, 90, 101.95, 90
R / Rfree (%)	21 / 26.3

The binding sites of Calcium atom in the Crystal Structure of Aldolase Atob 1.9A (pdb code 9jlm). 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 Aldolase Atob 1.9A, PDB code: 9jlm:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Aldolase Atob 1.9A


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 Aldolase Atob 1.9A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:7.7 occ:1.00 OD1 A:ASN125 2.4 4.9 1.0 O A:HIS124 2.4 8.1 1.0 O A:HOH387 2.5 5.0 1.0 O A:HOH436 2.6 6.2 1.0 CG A:ASN125 3.4 7.8 1.0 C A:HIS124 3.6 6.4 1.0 CA A:ASN125 3.9 5.4 1.0 O A:HOH366 4.1 5.0 1.0 ND1 A:HIS124 4.2 6.8 1.0 ND2 A:ASN125 4.2 7.1 1.0 CB A:ASN125 4.2 4.6 1.0 N A:ASN125 4.2 4.6 1.0 CB A:ALA151 4.6 6.8 1.0 O A:HOH442 4.6 18.1 1.0 OD2 A:ASP148 4.8 3.9 1.0 CA A:HIS124 4.8 9.3 1.0 CE1 A:HIS124 5.0 12.0 1.0 CG A:HIS124 5.0 5.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Aldolase Atob 1.9A


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 Aldolase Atob 1.9A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:9.0 occ:1.00 O B:HOH396 2.3 10.4 1.0 O B:HIS124 2.4 6.4 1.0 O B:HOH362 2.4 7.6 1.0 OD1 B:ASN125 2.5 8.4 1.0 CG B:ASN125 3.5 9.8 1.0 C B:HIS124 3.6 5.9 1.0 CA B:ASN125 4.0 5.3 1.0 ND2 B:ASN125 4.2 9.9 1.0 N B:ASN125 4.3 4.9 1.0 O B:HOH372 4.3 3.9 1.0 CB B:ASN125 4.4 8.6 1.0 O B:HOH415 4.5 24.6 1.0 ND1 B:HIS124 4.7 9.2 1.0 CA B:HIS124 4.7 7.5 1.0 CB B:ALA151 4.8 6.9 1.0 OD2 B:ASP148 4.8 5.4 1.0 CB B:HIS124 4.9 6.8 1.0 N B:HIS124 5.0 11.0 1.0

K.Ma, J.Liu, Z.Huang, M.Wu, D.Liu, J.Ren, A.Fan, W.Lin. Three-Dimensional Structural Alignment Based Discovery and Molecular Basis of Atob, Catalyzing Linear Tetracyclic Formation. Chem Sci V. 15 18490 2024.
ISSN: ISSN 2041-6520
PubMed: 39430940
DOI: 10.1039/D4SC05590J