Chlorine in PDB 3hbv: Prtc Methionine Mutants: M226A in-House

The structure of Prtc Methionine Mutants: M226A in-House, PDB code: 3hbv was solved by A.E.Oberholzer, M.Bumann, T.Hege, S.Russo, U.Baumann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.35 / 1.95
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	101.961, 101.961, 123.222, 90.00, 90.00, 120.00
R / Rfree (%)	15.3 / 16.6

The structure of Prtc Methionine Mutants: M226A in-House also contains other interesting chemical elements:

Calcium	(Ca)	7 atoms
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the Prtc Methionine Mutants: M226A in-House (pdb code 3hbv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Prtc Methionine Mutants: M226A in-House, PDB code: 3hbv:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Prtc Methionine Mutants: M226A in-House


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Prtc Methionine Mutants: M226A in-House within 5.0Å range: probe atom residue distance (Å) B Occ P:Cl1 b:23.9 occ:1.00 O P:HOH874 3.0 47.8 1.0 O P:HOH821 3.1 41.0 1.0 O P:HOH799 3.1 48.2 1.0 O P:HOH631 3.2 32.4 1.0 N P:ALA374 3.2 18.6 1.0 C P:ASN355 3.5 20.0 1.0 N P:SER356 3.5 17.6 1.0 O P:ASN355 3.7 19.0 1.0 CA P:SER356 3.7 19.9 1.0 CA P:GLY373 3.9 19.1 1.0 CB P:ALA374 3.9 20.9 1.0 C P:GLY373 4.0 20.5 1.0 CA P:ASN355 4.1 19.3 1.0 CB P:SER356 4.2 21.0 1.0 CA P:ALA374 4.2 18.7 1.0 O P:HOH861 4.6 36.5 1.0 O P:GLY354 4.8 22.5 1.0 O P:HOH529 4.8 56.7 1.0 O P:ALA374 4.8 18.1 1.0 O P:HOH763 4.8 30.7 1.0 N P:ASN355 4.9 19.5 1.0 C P:ALA374 5.0 20.4 1.0 OD1 P:ASN318 5.0 23.7 1.0

Chlorine binding site 2 out of 4 in the Prtc Methionine Mutants: M226A in-House


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Prtc Methionine Mutants: M226A in-House within 5.0Å range: probe atom residue distance (Å) B Occ P:Cl3 b:25.9 occ:1.00 OH P:TYR146 2.9 26.1 1.0 O P:HOH934 3.2 55.4 1.0 CE2 P:TYR146 3.8 23.5 1.0 CZ P:TYR146 3.8 26.8 1.0 O P:HOH844 4.2 47.1 1.0 O P:HOH552 4.5 45.0 1.0

Chlorine binding site 3 out of 4 in the Prtc Methionine Mutants: M226A in-House


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Prtc Methionine Mutants: M226A in-House within 5.0Å range: probe atom residue distance (Å) B Occ P:Cl600 b:36.5 occ:1.00 O P:HOH836 3.0 39.4 1.0 N P:GLY384 3.0 25.6 1.0 NE2 P:GLN408 3.3 23.4 1.0 O P:HOH549 3.3 57.1 1.0 OE1 P:GLN408 3.8 24.7 1.0 CA P:GLY384 3.9 26.0 1.0 CA P:ALA383 3.9 21.6 1.0 C P:ALA383 3.9 25.0 1.0 CD P:GLN408 4.0 28.6 1.0 O P:GLY384 4.2 21.4 1.0 CB P:ALA383 4.3 20.7 1.0 C P:GLY384 4.3 26.1 1.0 CG2 P:ILE411 4.6 27.4 1.0 CD1 P:ILE411 4.8 31.1 1.0 O P:HOH574 4.9 57.8 1.0

Chlorine binding site 4 out of 4 in the Prtc Methionine Mutants: M226A in-House


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Prtc Methionine Mutants: M226A in-House within 5.0Å range: probe atom residue distance (Å) B Occ P:Cl601 b:36.4 occ:1.00 O P:HOH840 2.9 39.5 1.0 N P:GLY366 3.0 21.4 1.0 O P:HOH549 3.3 57.1 1.0 CA P:GLY384 3.6 26.0 1.0 N P:GLY384 3.7 25.6 1.0 CA P:GLY366 3.8 22.7 1.0 C P:ALA383 3.8 25.0 1.0 CB P:ALA383 3.9 20.7 1.0 CB P:ALA365 3.9 20.8 1.0 O P:ALA383 3.9 23.2 1.0 C P:ALA365 3.9 23.0 1.0 O P:HOH574 4.0 57.8 1.0 CA P:ALA365 4.0 21.6 1.0 C P:GLY366 4.4 22.3 1.0 O P:HOH784 4.4 35.4 1.0 O P:GLY366 4.4 22.3 1.0 CA P:ALA383 4.5 21.6 1.0 O P:HOH572 5.0 55.9 1.0 OD1 P:ASN367 5.0 24.6 1.0

A.E.Oberholzer, M.Bumann, T.Hege, S.Russo, U.Baumann. Metzincin'S Canonical Methionine Is Responsible For the Structural Integrity of the Zinc-Binding Site Biol.Chem. V. 390 875 2009.
ISSN: ISSN 1431-6730
PubMed: 19558324
DOI: 10.1515/BC.2009.100