Chlorine in PDB 8x46: Crystal Structure of DIMT1 in Complex with Adenosylornithine (Sfg) From Pyrococcus Horikoshii

All present enzymatic activity of Crystal Structure of DIMT1 in Complex with Adenosylornithine (Sfg) From Pyrococcus Horikoshii:
2.1.1.182;

The structure of Crystal Structure of DIMT1 in Complex with Adenosylornithine (Sfg) From Pyrococcus Horikoshii, PDB code: 8x46 was solved by S.Saha, S.P.Kanaujia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.45 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	119.15, 80.34, 84.11, 90, 115.46, 90
R / Rfree (%)	21.3 / 26.1

The structure of Crystal Structure of DIMT1 in Complex with Adenosylornithine (Sfg) From Pyrococcus Horikoshii also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of DIMT1 in Complex with Adenosylornithine (Sfg) From Pyrococcus Horikoshii (pdb code 8x46). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of DIMT1 in Complex with Adenosylornithine (Sfg) From Pyrococcus Horikoshii, PDB code: 8x46:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of DIMT1 in Complex with Adenosylornithine (Sfg) From Pyrococcus Horikoshii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of DIMT1 in Complex with Adenosylornithine (Sfg) From Pyrococcus Horikoshii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:53.3 occ:1.00 CE A:LYS84 2.8 57.9 1.0 ZN A:ZN304 3.1 61.0 1.0 OD2 A:ASP80 3.4 44.7 1.0 NZ A:LYS84 3.5 60.4 1.0 O A:HOH479 3.9 45.8 1.0 OD1 A:ASP80 4.1 42.0 1.0 CD A:LYS84 4.1 54.8 1.0 CG A:ASP80 4.1 39.2 1.0 CG A:LYS84 4.3 50.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of DIMT1 in Complex with Adenosylornithine (Sfg) From Pyrococcus Horikoshii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of DIMT1 in Complex with Adenosylornithine (Sfg) From Pyrococcus Horikoshii within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:34.0 occ:1.00 ZN B:ZN302 2.2 47.6 1.0 OE1 B:GLU275 3.7 30.2 1.0 CG B:LYS266 3.8 42.0 1.0 CE B:LYS266 3.8 40.4 1.0 ND1 B:HIS263 3.8 32.2 1.0 CD B:LYS266 3.9 40.6 1.0 CA B:HIS263 3.9 38.2 1.0 CB B:HIS263 4.1 34.9 1.0 CG B:HIS263 4.4 34.3 1.0 C B:HIS263 4.5 41.6 1.0 CB B:LYS266 4.6 42.6 1.0 O B:HIS263 4.6 40.3 1.0 NZ B:LYS266 4.9 37.7 1.0 CD B:GLU275 4.9 27.8 1.0 CE1 B:HIS263 4.9 33.1 1.0 N B:HIS263 5.0 37.4 1.0

S.Saha, S.P.Kanaujia. Structural and Functional Characterization of Archaeal DIMT1 Unveils Distinct Protein Dynamics Essential For Efficient Catalysis. Structure 2024.
ISSN: ISSN 0969-2126
PubMed: 39146930
DOI: 10.1016/J.STR.2024.07.013