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Chlorine in PDB 2r5w: Crystal Structure of A Bifunctional Nmn Adenylyltransferase/Adp Ribose Pyrophosphatase From Francisella Tularensis

Enzymatic activity of Crystal Structure of A Bifunctional Nmn Adenylyltransferase/Adp Ribose Pyrophosphatase From Francisella Tularensis

All present enzymatic activity of Crystal Structure of A Bifunctional Nmn Adenylyltransferase/Adp Ribose Pyrophosphatase From Francisella Tularensis:
2.7.7.1;

Protein crystallography data

The structure of Crystal Structure of A Bifunctional Nmn Adenylyltransferase/Adp Ribose Pyrophosphatase From Francisella Tularensis, PDB code: 2r5w was solved by N.Huang, L.Sorci, X.Zhang, C.Brautigan, X.Li, N.Raffaelli, N.Grishin, A.Osterman, H.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.53 / 2.30
Space group F 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 124.909, 163.152, 180.792, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 25.3

Other elements in 2r5w:

The structure of Crystal Structure of A Bifunctional Nmn Adenylyltransferase/Adp Ribose Pyrophosphatase From Francisella Tularensis also contains other interesting chemical elements:

Magnesium (Mg) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Bifunctional Nmn Adenylyltransferase/Adp Ribose Pyrophosphatase From Francisella Tularensis (pdb code 2r5w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of A Bifunctional Nmn Adenylyltransferase/Adp Ribose Pyrophosphatase From Francisella Tularensis, PDB code: 2r5w:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 2r5w

Go back to Chlorine Binding Sites List in 2r5w
Chlorine binding site 1 out of 3 in the Crystal Structure of A Bifunctional Nmn Adenylyltransferase/Adp Ribose Pyrophosphatase From Francisella Tularensis


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 A Bifunctional Nmn Adenylyltransferase/Adp Ribose Pyrophosphatase From Francisella Tularensis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl351

b:37.5
occ:1.00
 O B:HOH386 2.2 38.1 1.0
O B:HOH461 2.4 48.1 1.0
MG B:MG350 2.6 39.2 1.0
MG B:MG348 2.6 34.6 1.0
MG B:MG349 2.8 39.4 1.0
OD2 B:ASP308 3.5 47.8 1.0
O B:HOH357 3.7 32.2 1.0
OD1 B:ASP308 3.7 50.5 1.0
CA B:GLY235 3.7 30.2 1.0
O B:HOH355 3.8 31.9 1.0
CG B:ASP308 3.8 49.3 1.0
OE1 B:GLU250 3.8 29.6 1.0
OE1 B:GLU254 4.1 37.8 1.0
OE2 B:GLU250 4.1 36.1 1.0
N B:PHE236 4.2 32.0 1.0
O B:GLY234 4.2 30.4 1.0
CD B:GLU250 4.3 32.4 1.0
CD1 B:PHE236 4.5 41.3 1.0
O B:HOH354 4.5 30.1 1.0
C B:GLY235 4.5 30.5 1.0
O B:HOH358 4.6 35.8 1.0
O B:HOH353 4.7 50.5 1.0
N B:GLY235 4.7 30.1 1.0
O B:HOH539 4.7 54.7 1.0
O B:HOH356 4.8 28.8 1.0
C B:GLY234 4.9 30.4 1.0
CB B:ASP308 5.0 47.4 1.0

Chlorine binding site 2 out of 3 in 2r5w

Go back to Chlorine Binding Sites List in 2r5w
Chlorine binding site 2 out of 3 in the Crystal Structure of A Bifunctional Nmn Adenylyltransferase/Adp Ribose Pyrophosphatase From Francisella Tularensis


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 A Bifunctional Nmn Adenylyltransferase/Adp Ribose Pyrophosphatase From Francisella Tularensis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl352

b:38.0
occ:1.00
 NE2 B:GLN143 3.0 25.2 1.0
NZ B:LYS46 3.0 64.6 1.0
NH1 B:ARG142 3.3 33.7 1.0
CB B:ARG142 3.7 28.1 1.0
CD B:ARG142 3.9 29.6 1.0
O B:THR139 4.0 42.7 1.0
O B:ILE45 4.0 34.2 1.0
CG2 B:THR139 4.0 38.4 1.0
CD B:LYS46 4.1 48.3 1.0
CD B:GLN143 4.1 28.7 1.0
CA B:THR139 4.1 39.8 1.0
CE B:LYS46 4.1 57.6 1.0
CG B:GLN143 4.3 26.4 1.0
CZ B:ARG142 4.4 38.4 1.0
CB B:THR139 4.5 40.2 1.0
CG B:ARG142 4.5 27.0 1.0
CE1 B:TYR146 4.5 29.4 1.0
OG1 B:THR139 4.5 41.5 1.0
C B:THR139 4.5 39.5 1.0
NE B:ARG142 4.6 45.1 1.0
C B:ILE45 4.6 33.4 1.0
N B:GLN143 4.7 28.4 1.0
CA B:LYS46 4.8 38.1 1.0
CA B:ARG142 4.9 29.3 1.0
C B:ARG142 4.9 29.7 1.0

Chlorine binding site 3 out of 3 in 2r5w

Go back to Chlorine Binding Sites List in 2r5w
Chlorine binding site 3 out of 3 in the Crystal Structure of A Bifunctional Nmn Adenylyltransferase/Adp Ribose Pyrophosphatase From Francisella Tularensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A Bifunctional Nmn Adenylyltransferase/Adp Ribose Pyrophosphatase From Francisella Tularensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl351

b:31.4
occ:1.00
 O A:HOH355 2.1 42.9 1.0
O A:HOH447 2.2 39.8 1.0
O A:HOH357 2.4 34.5 1.0
MG A:MG350 2.6 30.8 1.0
MG A:MG348 2.7 31.1 1.0
MG A:MG349 3.1 30.1 1.0
CA A:GLY235 3.5 22.3 1.0
O A:HOH356 3.5 28.7 1.0
OD1 A:ASP308 3.6 30.3 1.0
OD2 A:ASP308 3.6 29.0 1.0
CG A:ASP308 3.8 33.6 1.0
O A:HOH414 3.8 36.7 1.0
OE1 A:GLU250 3.8 27.7 1.0
OE2 A:GLU254 3.9 27.7 1.0
OE2 A:GLU250 4.0 27.8 1.0
O A:HOH480 4.1 56.7 1.0
O A:HOH354 4.1 28.4 1.0
N A:PHE236 4.1 24.5 1.0
O A:GLY234 4.1 23.9 1.0
CD A:GLU250 4.2 23.2 1.0
C A:GLY235 4.3 24.6 1.0
CD1 A:PHE236 4.5 30.9 1.0
N A:GLY235 4.5 21.4 1.0
O A:HOH388 4.5 27.2 1.0
O A:HOH427 4.7 22.0 1.0
C A:GLY234 4.7 23.9 1.0
O A:HOH353 4.7 26.1 1.0
CB A:ASP308 4.9 31.7 1.0
O A:HOH352 4.9 29.9 1.0

Reference:

N.Huang, L.Sorci, X.Zhang, C.A.Brautigam, X.Li, N.Raffaelli, G.Magni, N.V.Grishin, A.L.Osterman, H.Zhang. Bifunctional Nmn Adenylyltransferase/Adp-Ribose Pyrophosphatase: Structure and Function in Bacterial Nad Metabolism. Structure V. 16 196 2008.
ISSN: ISSN 0969-2126
PubMed: 18275811
DOI: 10.1016/J.STR.2007.11.017
Page generated: Sat Jul 20 11:05:44 2024

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