Atomistry » Chlorine » PDB 4bjy-4bri » 4br4
Atomistry »
  Chlorine »
    PDB 4bjy-4bri »
      4br4 »

Chlorine in PDB 4br4: Legionella Pneumophila NTPDASE1 Crystal Form I, Open, Apo

Enzymatic activity of Legionella Pneumophila NTPDASE1 Crystal Form I, Open, Apo

All present enzymatic activity of Legionella Pneumophila NTPDASE1 Crystal Form I, Open, Apo:
3.6.1.5;

Protein crystallography data

The structure of Legionella Pneumophila NTPDASE1 Crystal Form I, Open, Apo, PDB code: 4br4 was solved by M.Zebisch, P.Schaefer, P.Lauble, N.Straeter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.88 / 1.45
Space group P 3 2 1
Cell size a, b, c (Å), α, β, γ (°) 103.875, 103.875, 75.404, 90.00, 90.00, 120.00
R / Rfree (%) 14.5 / 18.3

Other elements in 4br4:

The structure of Legionella Pneumophila NTPDASE1 Crystal Form I, Open, Apo also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Legionella Pneumophila NTPDASE1 Crystal Form I, Open, Apo (pdb code 4br4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Legionella Pneumophila NTPDASE1 Crystal Form I, Open, Apo, PDB code: 4br4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4br4

Go back to Chlorine Binding Sites List in 4br4
Chlorine binding site 1 out of 2 in the Legionella Pneumophila NTPDASE1 Crystal Form I, Open, Apo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Legionella Pneumophila NTPDASE1 Crystal Form I, Open, Apo within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1394

b:20.3
occ:1.00
O A:HOH2164 3.1 19.4 1.0
O A:HOH2110 3.1 14.7 1.0
N A:GLY156 3.4 11.5 1.0
CD A:ARG122 3.6 14.8 1.0
NE A:ARG122 4.1 16.4 1.0
CA A:GLY156 4.1 10.8 1.0
C A:THR155 4.5 10.1 1.0
CA A:THR155 4.6 12.7 1.0
NH1 A:ARG122 4.7 14.7 1.0
CB A:LEU227 4.7 10.9 1.0
CD2 A:LEU227 4.7 14.2 1.0
CZ A:ARG122 4.7 14.2 1.0
CB A:THR155 4.7 12.9 1.0
OG A:SER225 4.8 12.6 1.0
CB A:SER225 4.8 12.5 1.0
CG A:ARG122 4.8 16.8 1.0

Chlorine binding site 2 out of 2 in 4br4

Go back to Chlorine Binding Sites List in 4br4
Chlorine binding site 2 out of 2 in the Legionella Pneumophila NTPDASE1 Crystal Form I, Open, Apo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Legionella Pneumophila NTPDASE1 Crystal Form I, Open, Apo within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1395

b:32.3
occ:1.00
O A:HOH2317 3.0 48.3 1.0
O A:HOH2337 3.1 49.4 1.0
ND2 A:ASN327 3.3 25.3 1.0
NE2 A:GLN328 3.5 28.5 1.0
CB A:ASN327 3.7 16.9 1.0
CA A:GLN324 3.8 15.5 1.0
CG A:GLN324 3.9 16.4 1.0
CG A:ASN327 4.1 20.4 1.0
OE1 A:GLN323 4.2 69.0 1.0
O A:GLN323 4.2 15.7 1.0
CB A:GLN324 4.3 15.1 1.0
CG A:GLN328 4.4 18.6 1.0
O A:HOH2316 4.4 40.9 1.0
N A:GLN324 4.4 15.8 1.0
CD A:GLN328 4.5 21.9 1.0
C A:GLN323 4.5 14.8 1.0
CG A:GLN323 4.7 22.9 1.0
O A:GLN324 4.7 14.9 1.0
C A:GLN324 4.8 13.9 1.0
CD A:GLN323 4.8 49.9 1.0
CE1 A:HIS310 4.8 22.5 0.5

Reference:

M.Zebisch, M.Krauss, P.Schaefer, P.Lauble, N.Straeter. Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure V. 21 1460 2013.
ISSN: ISSN 0969-2126
PubMed: 23830739
DOI: 10.1016/J.STR.2013.05.016
Page generated: Sat Dec 12 10:27:11 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy