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Chlorine in PDB 2vun: The Crystal Structure of Enamidase at 1.9 A Resolution - A New Member of the Amidohydrolase Superfamily

Enzymatic activity of The Crystal Structure of Enamidase at 1.9 A Resolution - A New Member of the Amidohydrolase Superfamily

All present enzymatic activity of The Crystal Structure of Enamidase at 1.9 A Resolution - A New Member of the Amidohydrolase Superfamily:
3.5.2.18;

Protein crystallography data

The structure of The Crystal Structure of Enamidase at 1.9 A Resolution - A New Member of the Amidohydrolase Superfamily, PDB code: 2vun was solved by D.Kress, A.Alhapel, A.J.Pierik, L.-O.Essen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 107.83 / 1.89
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 146.352, 159.824, 161.683, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 19.8

Other elements in 2vun:

The structure of The Crystal Structure of Enamidase at 1.9 A Resolution - A New Member of the Amidohydrolase Superfamily also contains other interesting chemical elements:

Iron (Fe) 4 atoms
Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of Enamidase at 1.9 A Resolution - A New Member of the Amidohydrolase Superfamily (pdb code 2vun). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Crystal Structure of Enamidase at 1.9 A Resolution - A New Member of the Amidohydrolase Superfamily, PDB code: 2vun:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2vun

Go back to Chlorine Binding Sites List in 2vun
Chlorine binding site 1 out of 4 in the The Crystal Structure of Enamidase at 1.9 A Resolution - A New Member of the Amidohydrolase Superfamily


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Enamidase at 1.9 A Resolution - A New Member of the Amidohydrolase Superfamily within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:51.0
occ:1.00
 O A:HOH2362 2.7 31.3 1.0
O A:HOH2205 2.7 30.1 1.0
O A:HOH2223 3.2 38.1 1.0
ZN A:ZN401 3.2 26.9 1.0
O A:HOH2222 3.3 28.3 1.0
O A:HOH2275 3.4 48.3 1.0
NE2 A:HIS69 3.7 20.0 1.0
FE A:FE402 3.8 25.3 1.0
OD1 A:ASP276 3.9 19.0 1.0
OE2 A:GLU164 4.1 21.4 1.0
CD2 A:LEU167 4.3 23.4 1.0
CD2 A:HIS69 4.3 18.3 1.0
CE1 A:HIS69 4.4 19.4 1.0
O A:HOH2120 4.5 37.0 1.0
OD2 A:ASP276 4.5 18.8 1.0
CG A:ASP276 4.6 18.6 1.0
OE1 A:GLU164 4.9 21.8 1.0
CD A:GLU164 4.9 19.5 1.0
O A:GLY224 4.9 17.3 1.0
O A:HOH2276 5.0 26.8 1.0

Chlorine binding site 2 out of 4 in 2vun

Go back to Chlorine Binding Sites List in 2vun
Chlorine binding site 2 out of 4 in the The Crystal Structure of Enamidase at 1.9 A Resolution - A New Member of the Amidohydrolase Superfamily


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Enamidase at 1.9 A Resolution - A New Member of the Amidohydrolase Superfamily within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:49.9
occ:1.00
 O B:HOH2173 2.7 36.8 1.0
O B:HOH2314 2.8 34.0 1.0
O B:HOH2227 2.9 51.7 1.0
O B:HOH2188 3.3 39.3 1.0
ZN B:ZN401 3.3 31.4 1.0
FE B:FE402 3.8 31.4 1.0
NE2 B:HIS69 3.9 24.2 1.0
OE2 B:GLU164 4.0 28.2 1.0
CD2 B:LEU167 4.0 33.1 1.0
OD1 B:ASP276 4.1 24.5 1.0
CE1 B:HIS69 4.5 22.3 1.0
CD2 B:HIS69 4.5 22.7 1.0
O B:HOH2078 4.6 54.6 1.0
OD2 B:ASP276 4.6 24.6 1.0
CD B:GLU164 4.8 26.1 1.0
OE1 B:GLU164 4.8 29.1 1.0
CG B:ASP276 4.8 21.6 1.0
O B:GLY224 4.9 18.6 1.0
O B:HOH2229 5.0 25.5 1.0
CG B:PRO102 5.0 23.5 1.0

Chlorine binding site 3 out of 4 in 2vun

Go back to Chlorine Binding Sites List in 2vun
Chlorine binding site 3 out of 4 in the The Crystal Structure of Enamidase at 1.9 A Resolution - A New Member of the Amidohydrolase Superfamily


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Enamidase at 1.9 A Resolution - A New Member of the Amidohydrolase Superfamily within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:56.4
occ:1.00
 O C:HOH2177 2.6 37.7 1.0
O C:HOH2312 2.7 34.0 1.0
O C:HOH2215 2.9 50.9 1.0
O C:HOH2186 2.9 41.9 1.0
ZN C:ZN401 3.4 33.7 1.0
FE C:FE402 3.7 32.5 1.0
OE2 C:GLU164 4.1 30.7 1.0
NE2 C:HIS69 4.1 25.3 1.0
OD1 C:ASP276 4.1 26.2 1.0
CD2 C:LEU167 4.2 34.8 1.0
OD2 C:ASP276 4.5 25.6 1.0
O C:HOH2085 4.5 42.6 1.0
CD2 C:HIS69 4.7 22.5 1.0
CE1 C:HIS69 4.7 23.2 1.0
CG C:ASP276 4.8 23.2 1.0
OE1 C:GLU164 4.8 30.7 1.0
O C:GLY224 4.8 22.0 1.0
CD C:GLU164 4.8 27.9 1.0
ND1 C:HIS193 4.9 32.5 1.0
O C:HOH2218 4.9 32.1 1.0
CE1 C:HIS193 5.0 32.1 1.0

Chlorine binding site 4 out of 4 in 2vun

Go back to Chlorine Binding Sites List in 2vun
Chlorine binding site 4 out of 4 in the The Crystal Structure of Enamidase at 1.9 A Resolution - A New Member of the Amidohydrolase Superfamily


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of Enamidase at 1.9 A Resolution - A New Member of the Amidohydrolase Superfamily within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:61.6
occ:1.00
 O D:HOH2139 2.7 37.0 1.0
O D:HOH2246 2.9 30.8 1.0
O D:HOH2150 3.0 47.7 1.0
ZN D:ZN401 3.2 33.2 1.0
O D:HOH2149 3.4 38.8 1.0
NE2 D:HIS69 3.7 25.8 1.0
FE D:FE402 3.9 33.6 1.0
OE2 D:GLU164 3.9 29.2 1.0
OD1 D:ASP276 3.9 25.3 1.0
CD2 D:LEU167 4.0 34.6 1.0
O D:HOH2062 4.1 47.2 1.0
CE1 D:HIS69 4.3 24.6 1.0
CD2 D:HIS69 4.3 24.5 1.0
OD2 D:ASP276 4.6 23.7 1.0
O D:HOH2065 4.6 46.3 1.0
CG D:ASP276 4.7 22.4 1.0
CD D:GLU164 4.7 28.1 1.0
OE1 D:GLU164 4.8 31.5 1.0
O D:HOH2180 5.0 33.3 1.0

Reference:

D.Kress, A.Alhapel, A.J.Pierik, L.-O.Essen. The Crystal Structure of Enamidase: A Bifunctional Enzyme of the Nicotinate Catabolism. J.Mol.Biol. V. 384 837 2008.
ISSN: ISSN 0022-2836
PubMed: 18805424
DOI: 10.1016/J.JMB.2008.09.002
Page generated: Sat Jul 20 12:15:05 2024

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