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Chlorine in PDB 4brf: Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp

Enzymatic activity of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp

All present enzymatic activity of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp:
3.6.1.5;

Protein crystallography data

The structure of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp, PDB code: 4brf 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) 29.87 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 62.144, 85.970, 71.888, 90.00, 106.14, 90.00
R / Rfree (%) 12.546 / 18.43

Other elements in 4brf:

The structure of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp also contains other interesting chemical elements:

Molybdenum (Mo) 4 atoms
Magnesium (Mg) 6 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp (pdb code 4brf). 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 II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp, PDB code: 4brf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4brf

Go back to Chlorine Binding Sites List in 4brf
Chlorine binding site 1 out of 2 in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp


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 II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1403

b:22.6
occ:1.00
 O B:HOH2073 3.1 12.8 1.0
CA A:ASP253 3.3 18.3 1.0
NE B:ARG122 3.4 10.9 0.5
ND2 A:ASN240 3.4 15.1 1.0
CB A:ASP253 3.4 22.8 1.0
N B:GLY156 3.4 13.8 1.0
N A:ASP253 3.4 13.3 1.0
CD B:ARG122 3.5 14.6 0.5
CD B:ARG122 3.7 9.7 0.5
C A:PRO252 3.7 15.8 1.0
O A:PRO252 3.9 18.6 1.0
CA B:GLY156 3.9 11.3 1.0
NE B:ARG122 4.0 15.5 0.5
CZ B:ARG122 4.2 11.3 0.5
CB A:PRO252 4.2 16.7 1.0
CG A:ASN240 4.3 13.1 1.0
OD1 A:ASN240 4.4 12.6 1.0
NH2 B:ARG122 4.5 10.1 0.5
CZ B:ARG122 4.5 14.6 0.5
C B:THR155 4.5 13.5 1.0
NH1 B:ARG122 4.6 13.2 0.5
CA A:PRO252 4.6 12.7 1.0
CA B:THR155 4.7 15.6 1.0
C A:ASP253 4.7 18.4 1.0
CB B:SER225 4.7 14.1 1.0
OG B:SER225 4.7 12.4 1.0
CG B:ARG122 4.8 11.7 0.5
CD2 B:LEU227 4.8 11.7 1.0
CG A:ASP253 4.8 22.2 1.0
CB B:THR155 4.9 14.7 1.0
CB B:LEU227 4.9 9.5 1.0

Chlorine binding site 2 out of 2 in 4brf

Go back to Chlorine Binding Sites List in 4brf
Chlorine binding site 2 out of 2 in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp


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 II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1395

b:32.2
occ:1.00
 O A:HOH2118 3.1 34.5 1.0
O A:HOH2079 3.1 15.3 1.0
CA B:ASP253 3.2 22.6 1.0
CB B:ASP253 3.3 29.2 1.0
N B:ASP253 3.4 18.7 1.0
NE A:ARG122 3.4 11.0 0.5
CD A:ARG122 3.4 19.5 0.5
ND2 B:ASN240 3.5 19.2 1.0
N A:GLY156 3.7 13.8 1.0
C B:PRO252 3.7 18.3 1.0
CD A:ARG122 3.8 12.6 0.5
O B:PRO252 3.9 18.6 1.0
NE A:ARG122 4.1 16.8 0.5
CA A:GLY156 4.1 13.9 1.0
CB B:PRO252 4.2 16.2 1.0
CZ A:ARG122 4.2 10.8 0.5
CG B:ASN240 4.3 14.4 1.0
OD1 B:ASN240 4.4 14.7 1.0
NH1 A:ARG122 4.5 16.1 0.5
NH2 A:ARG122 4.6 9.6 0.5
CZ A:ARG122 4.6 16.8 0.5
CA B:PRO252 4.6 17.5 1.0
CD2 A:LEU227 4.7 11.5 1.0
C B:ASP253 4.7 18.9 1.0
OG A:SER225 4.7 13.2 1.0
CG A:ARG122 4.7 18.2 0.5
CG B:ASP253 4.7 26.0 1.0
CB A:LEU227 4.7 10.3 1.0
C A:THR155 4.8 11.2 1.0
CB A:SER225 4.8 11.9 1.0
CA A:THR155 4.9 11.8 1.0

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: Fri Jul 11 13:33:03 2025

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