Zinc in PDB 9ild: Complex Structure of CAP3 and Cd-Ntase

The structure of Complex Structure of CAP3 and Cd-Ntase, PDB code: 9ild was solved by F.Q.Li, W.F.Ma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.21 / 2.18
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.051, 54.843, 59.606, 90, 90, 90
R / Rfree (%)	22.8 / 28.3

The binding sites of Zinc atom in the Complex Structure of CAP3 and Cd-Ntase (pdb code 9ild). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Complex Structure of CAP3 and Cd-Ntase, PDB code: 9ild:

Zinc binding site 1 out of 1 in the Complex Structure of CAP3 and Cd-Ntase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Complex Structure of CAP3 and Cd-Ntase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:93.0 occ:1.00 O B:HOH103 2.1 53.9 1.0 NE2 A:HIS102 2.5 43.7 1.0 O B:SER34 2.7 62.2 1.0 OD2 A:ASP113 2.8 46.1 1.0 OD1 A:ASP113 2.9 45.6 1.0 CG A:ASP113 3.2 42.8 1.0 CD2 A:HIS102 3.3 46.4 1.0 CE1 A:HIS102 3.4 39.7 1.0 NE2 A:HIS100 3.6 43.0 1.0 OG A:SER110 3.9 46.2 1.0 C B:SER34 3.9 60.8 1.0 OE1 A:GLU38 4.1 55.2 1.0 CD2 A:HIS100 4.1 35.5 1.0 OE2 A:GLU38 4.3 44.8 1.0 CG A:HIS102 4.4 41.5 1.0 ND1 A:HIS102 4.4 39.7 1.0 OG B:SER34 4.5 65.2 1.0 CD A:GLU38 4.6 48.5 1.0 O A:THR69 4.6 42.3 1.0 CE1 A:HIS100 4.6 40.0 1.0 CB A:ASP113 4.7 41.6 1.0 CB B:SER34 4.7 58.3 1.0 CA B:SER34 4.7 59.1 1.0 CB A:SER110 4.9 48.2 1.0

F.Q.Li, W.F.Ma. Structural and Functional Characterization of the Bacterial CAP3 Enzyme in Deconjugation and Regulation of the Cyclic Dinucleotide Transferase Cd-Ntase To Be Published.