Iodine in PDB 6njx: C-Terminal Region of the Xanthomonas Campestris Pv. Campestris Old Protein Phased with Mercury

The structure of C-Terminal Region of the Xanthomonas Campestris Pv. Campestris Old Protein Phased with Mercury, PDB code: 6njx was solved by C.J.Schiltz, A.Lee, E.A.Partlow, C.J.Hosford, J.S.Chappie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.10 / 1.95
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	65.189, 65.189, 63.799, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 24.2

The structure of C-Terminal Region of the Xanthomonas Campestris Pv. Campestris Old Protein Phased with Mercury also contains other interesting chemical elements:

Mercury

(Hg)

3 atoms

The binding sites of Iodine atom in the C-Terminal Region of the Xanthomonas Campestris Pv. Campestris Old Protein Phased with Mercury (pdb code 6njx). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the C-Terminal Region of the Xanthomonas Campestris Pv. Campestris Old Protein Phased with Mercury, PDB code: 6njx:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the C-Terminal Region of the Xanthomonas Campestris Pv. Campestris Old Protein Phased with Mercury


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of C-Terminal Region of the Xanthomonas Campestris Pv. Campestris Old Protein Phased with Mercury within 5.0Å range: probe atom residue distance (Å) B Occ A:I704 b:56.1 occ:0.03 CD2 A:LEU531 3.2 59.7 1.0 CG A:LEU531 3.3 54.3 1.0 CB A:LEU528 3.5 47.8 1.0 CD1 A:LEU528 3.7 41.2 1.0 CA A:LEU531 3.7 52.0 1.0 NH1 A:ARG560 3.9 39.5 1.0 N A:LEU531 4.0 47.3 1.0 CB A:LEU531 4.0 50.9 1.0 CG A:LEU528 4.0 42.9 1.0 CD2 A:LEU528 4.3 43.0 1.0 CD1 A:LEU531 4.4 52.4 1.0 O A:LEU528 4.5 48.5 1.0 CA A:LEU528 4.5 48.9 1.0 C A:ARG530 4.6 50.5 1.0 CD2 A:LEU557 4.6 40.8 1.0 C A:LEU528 4.7 46.6 1.0 O A:ARG530 4.8 48.7 1.0

Iodine binding site 2 out of 3 in the C-Terminal Region of the Xanthomonas Campestris Pv. Campestris Old Protein Phased with Mercury


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of C-Terminal Region of the Xanthomonas Campestris Pv. Campestris Old Protein Phased with Mercury within 5.0Å range: probe atom residue distance (Å) B Occ A:I705 b:57.8 occ:0.29 O A:HOH804 3.0 50.7 1.0 O A:HOH827 3.1 57.1 1.0 NH1 A:ARG560 3.2 39.5 1.0 NH2 A:ARG560 3.5 40.2 1.0 CZ A:ARG560 3.8 42.2 1.0 CD2 A:LEU557 3.9 40.8 1.0 CD1 A:LEU553 4.0 45.6 1.0 OG1 A:THR535 4.4 54.0 1.0 CG2 A:THR535 4.8 55.5 1.0

Iodine binding site 3 out of 3 in the C-Terminal Region of the Xanthomonas Campestris Pv. Campestris Old Protein Phased with Mercury


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of C-Terminal Region of the Xanthomonas Campestris Pv. Campestris Old Protein Phased with Mercury within 5.0Å range: probe atom residue distance (Å) B Occ A:I706 b:31.4 occ:0.77 O A:HOH802 3.4 43.9 1.0 NE2 A:GLN497 3.9 43.8 1.0 CA A:LEU494 4.2 43.3 1.0 N A:LEU494 4.4 42.6 1.0 CG A:LYS493 4.4 47.8 1.0 O A:LYS493 4.5 40.3 1.0 CB A:LEU494 4.5 42.5 1.0 C A:LYS493 4.6 43.6 1.0 CE A:LYS493 4.6 53.5 1.0 CD1 A:LEU494 4.7 42.5 1.0 CD A:LYS493 4.8 55.0 1.0 CD A:GLN497 4.9 46.2 1.0

C.J.Schiltz, A.Lee, E.A.Partlow, C.J.Hosford, J.S.Chappie. Structural Characterization of Class 2 Old Family Nucleases Supports A Two-Metal Catalysis Mechanism For Cleavage. Nucleic Acids Res. V. 47 9448 2019.
ISSN: ESSN 1362-4962
PubMed: 31400118
DOI: 10.1093/NAR/GKZ703