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Calcium in PDB 8b1z: Ndm-1 Metallo-Beta-Lactamase in Complex with Triazole-Based Inhibitor CP56

Protein crystallography data

The structure of Ndm-1 Metallo-Beta-Lactamase in Complex with Triazole-Based Inhibitor CP56, PDB code: 8b1z was solved by F.Vascon, L.Lazzarato, M.Bersani, E.Gianquinto, J.D.Docquier, F.Spyrakis, D.Tondi, L.Cendron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.19 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 68.61, 73.964, 77.115, 90, 90, 90
R / Rfree (%) 17.3 / 20.9

Other elements in 8b1z:

The structure of Ndm-1 Metallo-Beta-Lactamase in Complex with Triazole-Based Inhibitor CP56 also contains other interesting chemical elements:

Zinc (Zn) 4 atoms
Fluorine (F) 6 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Ndm-1 Metallo-Beta-Lactamase in Complex with Triazole-Based Inhibitor CP56 (pdb code 8b1z). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Ndm-1 Metallo-Beta-Lactamase in Complex with Triazole-Based Inhibitor CP56, PDB code: 8b1z:

Calcium binding site 1 out of 1 in 8b1z

Go back to Calcium Binding Sites List in 8b1z
Calcium binding site 1 out of 1 in the Ndm-1 Metallo-Beta-Lactamase in Complex with Triazole-Based Inhibitor CP56


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Ndm-1 Metallo-Beta-Lactamase in Complex with Triazole-Based Inhibitor CP56 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca303

b:41.1
occ:1.00
OD2 A:ASP130 2.2 31.2 1.0
OD2 A:ASP95 2.3 29.4 1.0
O A:HOH448 2.6 21.9 1.0
CG A:ASP130 3.3 27.8 1.0
CG A:ASP95 3.3 28.0 1.0
OD1 A:ASP95 3.6 25.1 1.0
CB A:ASP130 3.7 24.8 1.0
O A:HOH463 4.2 31.9 1.0
O A:HOH445 4.3 26.8 1.0
OD1 A:ASP130 4.3 29.8 1.0
O A:GLY127 4.5 21.4 1.0
CB A:ASP95 4.7 22.9 1.0
N A:ASP130 4.7 20.6 1.0
O A:HOH432 4.8 20.8 1.0
CG2 A:VAL155 4.8 24.5 1.0
CA A:ASP130 4.9 23.8 1.0

Reference:

F.Vascon, L.Lazzarato, M.Bersani, E.Gianquinto, J.D.Docquier, F.Spyrakis, D.Tondi, L.Cendron. Structural Characterization of Triazole-Based Inhibitors of Metallo-Beta-Lactamases To Be Published.
Page generated: Thu Jul 10 03:18:38 2025

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