Arsenic in PDB 5gm3: Crystal Structure of Fi-Cmcase From Aspergillus Aculeatus F-50

All present enzymatic activity of Crystal Structure of Fi-Cmcase From Aspergillus Aculeatus F-50:
3.2.1.4;

The structure of Crystal Structure of Fi-Cmcase From Aspergillus Aculeatus F-50, PDB code: 5gm3 was solved by J.W.Huang, W.D.Liu, Y.Y.Zheng, C.C.Chen, R.T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.59
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	74.215, 75.089, 188.385, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 19

The structure of Crystal Structure of Fi-Cmcase From Aspergillus Aculeatus F-50 also contains other interesting chemical elements:

Zinc

(Zn)

8 atoms

The binding sites of Arsenic atom in the Crystal Structure of Fi-Cmcase From Aspergillus Aculeatus F-50 (pdb code 5gm3). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 4 binding sites of Arsenic where determined in the Crystal Structure of Fi-Cmcase From Aspergillus Aculeatus F-50, PDB code: 5gm3:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in the Crystal Structure of Fi-Cmcase From Aspergillus Aculeatus F-50


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Fi-Cmcase From Aspergillus Aculeatus F-50 within 5.0Å range: probe atom residue distance (Å) B Occ A:As306 b:23.4 occ:0.50 AS A:CAC306 0.0 23.4 0.5 O1 A:CAC306 1.7 17.1 0.5 O2 A:CAC306 1.8 13.0 0.5 C1 A:CAC306 1.9 22.0 0.5 C2 A:CAC306 2.0 16.7 0.5 ZN A:ZN301 3.2 19.1 1.0 O2 A:CAC307 3.9 25.9 1.0 O1 A:CAC307 4.0 22.6 1.0 C2 A:CAC307 4.1 35.6 1.0 CA A:HIS185 4.2 16.6 1.0 AS A:CAC307 4.3 23.1 1.0 O A:ASN184 4.3 21.8 1.0 C A:HIS185 4.4 15.7 1.0 ND1 A:HIS185 4.5 19.1 1.0 O A:HIS185 4.5 22.1 1.0 CB A:HIS185 4.9 18.2 1.0

Arsenic binding site 2 out of 4 in the Crystal Structure of Fi-Cmcase From Aspergillus Aculeatus F-50


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Fi-Cmcase From Aspergillus Aculeatus F-50 within 5.0Å range: probe atom residue distance (Å) B Occ A:As307 b:23.1 occ:1.00 AS A:CAC307 0.0 23.1 1.0 O1 A:CAC307 1.7 22.6 1.0 O2 A:CAC307 1.8 25.9 1.0 C1 A:CAC307 1.9 33.4 1.0 C2 A:CAC307 1.9 35.6 1.0 ZN A:ZN301 3.3 19.1 1.0 O1 A:CAC306 3.4 17.1 0.5 O2 A:CAC306 4.1 13.0 0.5 AS A:CAC306 4.3 23.4 0.5 ND1 A:HIS185 4.7 19.1 1.0 CE1 A:HIS185 4.8 19.4 1.0

Arsenic binding site 3 out of 4 in the Crystal Structure of Fi-Cmcase From Aspergillus Aculeatus F-50


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Crystal Structure of Fi-Cmcase From Aspergillus Aculeatus F-50 within 5.0Å range: probe atom residue distance (Å) B Occ B:As304 b:17.7 occ:0.50 AS B:CAC304 0.0 17.7 0.5 O1 B:CAC304 1.8 24.2 0.5 O2 B:CAC304 1.8 16.7 0.5 C2 B:CAC304 1.9 18.4 0.5 C1 B:CAC304 2.0 19.9 0.5 ZN B:ZN301 3.2 18.9 1.0 O2 B:CAC305 3.9 26.2 1.0 O1 B:CAC305 4.0 23.2 1.0 O B:ASN184 4.3 21.0 1.0 C1 B:CAC305 4.3 30.9 1.0 AS B:CAC305 4.3 21.1 1.0 CA B:HIS185 4.4 17.1 1.0 ND1 B:HIS185 4.5 18.2 1.0 C B:HIS185 4.6 15.0 1.0 O B:HOH443 4.7 40.9 1.0 O B:HIS185 4.8 20.3 1.0

Arsenic binding site 4 out of 4 in the Crystal Structure of Fi-Cmcase From Aspergillus Aculeatus F-50


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Crystal Structure of Fi-Cmcase From Aspergillus Aculeatus F-50 within 5.0Å range: probe atom residue distance (Å) B Occ B:As305 b:21.1 occ:1.00 AS B:CAC305 0.0 21.1 1.0 O2 B:CAC305 1.7 26.2 1.0 O1 B:CAC305 1.8 23.2 1.0 C1 B:CAC305 1.9 30.9 1.0 C2 B:CAC305 1.9 28.9 1.0 ZN B:ZN301 3.3 18.9 1.0 O2 B:CAC304 3.7 16.7 0.5 O1 B:CAC304 4.0 24.2 0.5 O B:HOH643 4.2 33.5 1.0 AS B:CAC304 4.3 17.7 0.5 C2 B:CAC304 4.4 18.4 0.5 ND1 B:HIS185 4.8 18.2 1.0 CE1 B:HIS185 4.9 19.2 1.0

J.W.Huang, W.Liu, H.L.Lai, Y.S.Cheng, Y.Zheng, Q.Li, H.Sun, C.J.Kuo, R.T.Guo, C.C.Chen. Crystal Structure and Genetic Modifications of Fi-Cmcase From Aspergillus Aculeatus F-50 Biochem. Biophys. Res. V. 478 565 2016COMMUN..
ISSN: ESSN 1090-2104
PubMed: 27470581
DOI: 10.1016/J.BBRC.2016.07.101