Zinc in PDB 8q3u: Crystal Structure of A Fentanyl Derivative in Complex with Human Ca VII

All present enzymatic activity of Crystal Structure of A Fentanyl Derivative in Complex with Human Ca VII:
4.2.1.1;

The structure of Crystal Structure of A Fentanyl Derivative in Complex with Human Ca VII, PDB code: 8q3u was solved by V.Alterio, A.Di Fiore, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.70 / 1.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	66.965, 89.422, 44.267, 90, 90, 90
R / Rfree (%)	15 / 15.3

The binding sites of Zinc atom in the Crystal Structure of A Fentanyl Derivative in Complex with Human Ca VII (pdb code 8q3u). 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 Crystal Structure of A Fentanyl Derivative in Complex with Human Ca VII, PDB code: 8q3u:

Zinc binding site 1 out of 1 in the Crystal Structure of A Fentanyl Derivative in Complex with Human Ca VII


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of A Fentanyl Derivative in Complex with Human Ca VII within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:7.8 occ:1.00 N1 A:J8I302 1.9 8.7 1.0 NE2 A:HIS94 2.0 7.5 1.0 ND1 A:HIS119 2.0 7.6 1.0 NE2 A:HIS96 2.0 8.4 1.0 H14 A:J8I302 2.7 14.7 1.0 CE1 A:HIS119 2.9 8.0 1.0 CE1 A:HIS94 3.0 7.9 1.0 O2 A:J8I302 3.0 8.8 1.0 CD2 A:HIS94 3.0 7.9 1.0 S1 A:J8I302 3.0 8.2 1.0 CD2 A:HIS96 3.0 8.7 1.0 HE1 A:HIS119 3.0 14.7 1.0 CE1 A:HIS96 3.1 9.1 1.0 CG A:HIS119 3.1 7.4 1.0 HD2 A:HIS96 3.2 14.7 1.0 HD2 A:HIS94 3.2 14.7 1.0 HB2 A:HIS119 3.2 14.7 1.0 HE1 A:HIS94 3.2 14.7 1.0 HE1 A:HIS96 3.3 14.7 1.0 CB A:HIS119 3.6 7.6 1.0 HG1 A:THR199 3.6 10.3 0.0 HB3 A:HIS119 3.7 14.7 1.0 O A:HOH550 3.8 24.0 1.0 OE1 A:GLU106 3.9 11.1 1.0 OG1 A:THR199 4.0 9.0 1.0 O1 A:J8I302 4.1 8.7 1.0 NE2 A:HIS119 4.1 8.2 1.0 C1 A:J8I302 4.1 9.0 1.0 ND1 A:HIS94 4.1 7.7 1.0 ND1 A:HIS96 4.2 9.6 1.0 CG A:HIS94 4.2 7.7 1.0 CG A:HIS96 4.2 8.9 1.0 HH2 A:TRP209 4.2 14.7 1.0 CD2 A:HIS119 4.2 7.9 1.0 H6 A:J8I302 4.6 14.7 1.0 C6 A:J8I302 4.8 10.4 1.0 CD A:GLU106 4.8 10.7 1.0 HE2 A:HIS119 4.9 10.3 0.0 HG12 A:VAL143 4.9 14.7 1.0 C2 A:J8I302 4.9 9.8 1.0 H2 A:J8I302 4.9 14.7 1.0 HG23 A:THR200 4.9 14.7 1.0 HD1 A:HIS94 4.9 10.3 0.0 HD1 A:HIS96 5.0 10.3 0.0

A.Angeli, L.Micheli, R.Turnaturi, L.Pasquinucci, C.Parenti, V.Alterio, A.Di Fiore, G.De Simone, S.M.Monti, F.Carta, L.Di Cesare Mannelli, C.Ghelardini, C.T.Supuran. Discovery of A Novel Series of Potent Carbonic Anhydrase Inhibitors with Selective Affinity For Mu Opioid Receptor For Safer and Long-Lasting Analgesia. Eur.J.Med.Chem. V. 260 15783 2023.
ISSN: ISSN 0223-5234
PubMed: 37678143
DOI: 10.1016/J.EJMECH.2023.115783