Zinc in PDB 1sw4: Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium

The structure of Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium, PDB code: 1sw4 was solved by A.Schiefner, G.Holtmann, K.Diederichs, W.Welte, E.Bremer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.730, 75.740, 66.980, 90.00, 91.42, 90.00
R / Rfree (%)	21.6 / 24.5

The structure of Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium (pdb code 1sw4). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 7 binding sites of Zinc where determined in the Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium, PDB code: 1sw4:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7;

Zinc binding site 1 out of 7 in the Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium


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 Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:25.7 occ:1.00 O A:HOH446 1.6 20.6 1.0 OD2 A:ASP242 1.9 20.4 1.0 OD2 B:ASP81 2.0 27.4 1.0 OD2 A:ASP244 2.0 27.4 1.0 OD1 A:ASP244 2.5 27.3 1.0 OD1 B:ASP81 2.6 22.8 1.0 CG B:ASP81 2.7 24.0 1.0 CG A:ASP244 2.7 21.7 1.0 CG A:ASP242 2.7 19.9 1.0 OD1 A:ASP242 2.9 19.5 1.0 O A:HOH464 3.8 27.2 1.0 OG1 A:THR245 4.0 21.4 1.0 CB B:ASP81 4.1 23.7 1.0 CB A:ASP242 4.1 19.1 1.0 CB A:ASP244 4.1 20.8 1.0 N A:THR245 4.4 19.6 1.0 O A:HOH463 4.7 27.0 1.0 O B:HOH522 4.8 28.7 1.0 CB B:GLN83 4.9 25.0 1.0 CA A:ASP244 4.9 20.2 1.0 N A:ASP244 4.9 19.7 1.0 CB A:THR245 4.9 20.1 1.0 C A:ASP244 5.0 19.9 1.0

Zinc binding site 2 out of 7 in the Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:41.1 occ:1.00 O A:HOH465 1.9 42.1 1.0 OD1 A:ASP136 2.1 27.9 1.0 O A:HOH447 2.4 26.3 1.0 OD2 A:ASP136 2.4 34.6 1.0 CG A:ASP136 2.7 28.2 1.0 O A:HOH409 3.8 21.6 1.0 O A:GLU133 4.1 26.7 1.0 CB A:ASP136 4.2 27.8 1.0 CG A:GLN137 4.6 31.5 1.0 CA A:ASP136 4.9 27.0 1.0 N A:ASP136 5.0 26.4 1.0

Zinc binding site 3 out of 7 in the Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn406 b:42.4 occ:0.50 O A:HOH526 2.2 39.1 1.0 O A:LYS275 2.8 45.1 1.0 C A:LYS275 3.6 45.2 1.0 CA A:LYS275 4.5 44.9 1.0 CE A:LYS269 4.6 35.8 1.0 O A:HOH507 4.8 29.5 1.0

Zinc binding site 4 out of 7 in the Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:21.6 occ:1.00 OD2 B:ASP239 1.7 23.9 1.0 OD2 A:ASP239 1.8 18.9 1.0 OE2 A:GLU238 2.0 22.1 1.0 OE2 B:GLU238 2.0 19.4 1.0 CG A:ASP239 2.7 23.0 1.0 CG B:ASP239 2.7 24.0 1.0 OD1 A:ASP239 2.9 23.9 1.0 CD A:GLU238 3.0 23.0 1.0 OD1 B:ASP239 3.0 22.8 1.0 CD B:GLU238 3.0 22.5 1.0 CG A:GLU238 3.3 24.0 1.0 CG B:GLU238 3.4 22.1 1.0 CB B:ASP239 4.1 23.0 1.0 CB A:ASP239 4.1 22.4 1.0 OE1 A:GLU238 4.1 24.6 1.0 OE1 B:GLU238 4.2 21.5 1.0 O A:HOH467 4.6 41.6 1.0 CE B:LYS104 4.7 33.3 1.0 O A:HOH484 4.7 30.9 1.0 N B:ASP239 4.7 22.6 1.0 CB B:LYS104 4.7 24.4 1.0 CB A:GLU238 4.7 23.6 1.0 CB A:LYS104 4.7 24.0 1.0 N A:ASP239 4.8 22.0 1.0 O B:HOH535 4.8 29.2 1.0 CB B:GLU238 4.8 22.5 1.0 C A:GLU238 4.9 22.2 1.0 CA B:ASP239 5.0 23.2 1.0 CA A:ASP239 5.0 22.4 1.0

Zinc binding site 5 out of 7 in the Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:28.6 occ:1.00 O B:HOH447 1.4 21.1 1.0 OD2 A:ASP81 2.0 21.1 1.0 OD2 B:ASP242 2.0 25.9 1.0 OD2 B:ASP244 2.2 29.0 1.0 OD1 A:ASP81 2.6 18.3 1.0 CG A:ASP81 2.6 22.1 1.0 OD1 B:ASP244 2.7 31.0 1.0 CG B:ASP242 2.8 21.2 1.0 CG B:ASP244 2.8 26.8 1.0 OD1 B:ASP242 2.9 18.9 1.0 OG1 B:THR245 4.0 20.5 1.0 CB A:ASP81 4.1 21.5 1.0 CB B:ASP242 4.2 21.4 1.0 CB B:ASP244 4.3 22.9 1.0 N B:THR245 4.6 20.3 1.0 CB A:GLN83 4.8 25.0 1.0 O B:HOH434 4.9 41.8 1.0 N B:ASP244 5.0 22.1 1.0 CA B:ASP244 5.0 22.4 1.0

Zinc binding site 6 out of 7 in the Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn405 b:34.7 occ:1.00 OD1 B:ASP136 2.1 27.8 1.0 O B:HOH429 2.2 28.6 1.0 OD2 B:ASP136 2.5 28.3 1.0 CG B:ASP136 2.7 25.4 1.0 O B:HOH448 2.8 37.5 1.0 O B:HOH410 4.1 15.3 1.0 O B:GLU133 4.1 26.1 1.0 CB B:ASP136 4.2 25.6 1.0 CG B:GLN137 4.3 30.5 1.0 CD B:GLN137 4.6 35.2 1.0 CA B:ASP136 4.9 25.2 1.0 N B:ASP136 4.9 24.5 1.0 C B:ASP136 5.0 25.3 1.0 OE1 B:GLN137 5.0 36.3 1.0

Zinc binding site 7 out of 7 in the Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of Prox From Archeoglobus Fulgidus in Complex with Trimethyl Ammonium within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn409 b:49.8 occ:1.00 O B:HOH451 2.2 40.1 1.0 OE2 B:GLU30 2.3 39.6 1.0 O B:HOH449 2.3 28.6 1.0 O B:HOH453 2.5 45.6 1.0 O B:HOH450 2.5 37.0 1.0 O B:HOH452 2.6 36.7 1.0 CD B:GLU30 3.1 34.7 1.0 OE1 B:GLU30 3.1 35.1 1.0 NE B:ARG261 4.1 32.7 1.0 O B:ALA36 4.2 33.6 1.0 NH2 B:ARG261 4.3 33.1 1.0 CG B:GLU30 4.5 33.1 1.0 CZ B:ARG261 4.6 33.1 1.0 O B:HOH480 4.9 28.2 1.0

A.Schiefner, G.Holtmann, K.Diederichs, W.Welte, E.Bremer. Structural Basis For the Binding of Compatible Solutes By Prox From the Hyperthermophilic Archaeon Archaeoglobus Fulgidus. J.Biol.Chem. V. 279 48270 2004.
ISSN: ISSN 0021-9258
PubMed: 15308642
DOI: 10.1074/JBC.M403540200