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Chlorine in PDB 3m1r: The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168

Enzymatic activity of The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168

All present enzymatic activity of The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168:
3.5.3.8;

Protein crystallography data

The structure of The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168, PDB code: 3m1r was solved by K.Tan, L.Bigelow, D.Trevino, K.Buck, A.Joachimiak, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.47 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 142.038, 118.980, 123.340, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 23

Other elements in 3m1r:

The structure of The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168 also contains other interesting chemical elements:

Arsenic (As) 4 atoms
Calcium (Ca) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168 (pdb code 3m1r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168, PDB code: 3m1r:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 3m1r

Go back to Chlorine Binding Sites List in 3m1r
Chlorine binding site 1 out of 9 in the The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168


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 Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl320

b:49.8
occ:1.00
 OD1 A:ASN127 2.7 82.1 1.0
CA A:CA322 3.3 36.0 1.0
OD1 A:ASP154 3.6 60.8 1.0
CA A:CA323 3.7 69.4 1.0
CG A:ASN127 3.8 71.1 1.0
OD2 A:ASP244 3.8 44.2 1.0
OD2 A:ASP242 3.9 34.4 1.0
ND1 A:HIS152 4.0 41.9 1.0
OD2 A:ASP154 4.0 62.2 1.0
CG A:ASP154 4.3 60.9 1.0
ND2 A:ASN165 4.4 37.1 1.0
CD A:GLU287 4.4 47.5 1.0
CB A:ASN127 4.5 62.1 1.0
CG A:GLU287 4.5 40.4 1.0
OE1 A:GLU287 4.6 54.7 1.0
CE1 A:HIS152 4.6 44.8 1.0
CG A:HIS152 4.7 40.7 1.0
OE2 A:GLU287 4.7 44.4 1.0
CB A:HIS152 4.9 37.0 1.0
ND2 A:ASN127 4.9 72.3 1.0
CG A:ASN165 4.9 53.5 1.0

Chlorine binding site 2 out of 9 in 3m1r

Go back to Chlorine Binding Sites List in 3m1r
Chlorine binding site 2 out of 9 in the The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168


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 Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl321

b:75.1
occ:1.00
 NE2 D:HIS51 2.7 57.5 1.0
NE2 A:HIS51 2.9 73.4 1.0
CD2 A:HIS51 2.9 72.2 1.0
OG1 A:THR291 3.0 39.3 1.0
CE1 D:HIS51 3.3 53.4 1.0
CB A:THR291 3.7 32.6 1.0
CD2 D:HIS51 3.9 51.8 1.0
N A:GLY53 4.0 31.6 1.0
CE1 A:HIS51 4.0 73.6 1.0
CG A:HIS51 4.0 72.2 1.0
CG2 A:THR291 4.1 31.1 1.0
C A:SER52 4.5 44.7 1.0
CA A:GLY53 4.5 31.4 1.0
ND1 D:HIS51 4.5 47.3 1.0
ND1 A:HIS51 4.6 71.4 1.0
OD2 A:ASP289 4.7 35.9 1.0
N A:SER52 4.7 56.8 1.0
CA A:SER52 4.8 52.1 1.0
CG D:HIS51 4.9 48.5 1.0
OD1 A:ASP289 4.9 39.4 1.0

Chlorine binding site 3 out of 9 in 3m1r

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Chlorine binding site 3 out of 9 in the The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168


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 Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl320

b:36.0
occ:1.00
 CA B:CA323 3.0 59.3 1.0
CA B:CA322 3.1 39.9 1.0
OD1 B:ASP154 3.3 57.3 1.0
ND1 B:HIS152 3.7 45.5 1.0
OD2 B:ASP242 3.9 36.6 1.0
OD2 B:ASP244 4.0 39.6 1.0
OD2 B:ASP154 4.1 61.0 1.0
CG B:ASP154 4.1 54.2 1.0
CG B:HIS152 4.2 49.4 1.0
CB B:HIS152 4.3 48.7 1.0
CE1 B:HIS152 4.4 50.0 1.0
O B:ASN165 4.5 37.7 1.0
OD1 B:ASP150 4.7 34.6 1.0
ND2 B:ASN165 4.7 36.1 1.0
CD B:GLU287 4.9 50.6 1.0
O B:HOH352 4.9 38.6 1.0
OD1 B:ASN127 4.9 47.3 1.0
OE1 B:GLU287 5.0 45.1 1.0
CD2 B:HIS152 5.0 50.5 1.0

Chlorine binding site 4 out of 9 in 3m1r

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Chlorine binding site 4 out of 9 in the The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168


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 Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl321

b:58.2
occ:1.00
 NE2 E:HIS51 2.4 36.8 1.0
NE2 B:HIS51 2.6 38.6 1.0
CD2 E:HIS51 3.1 28.6 1.0
CD2 B:HIS51 3.2 41.9 1.0
CE1 E:HIS51 3.6 33.5 1.0
CE1 B:HIS51 3.7 39.6 1.0
OG1 B:THR291 3.9 30.8 1.0
CB B:THR291 4.3 34.0 1.0
OG1 E:THR291 4.3 28.3 1.0
CG E:HIS51 4.4 40.4 1.0
CG2 B:THR291 4.4 31.6 1.0
CG B:HIS51 4.4 47.0 1.0
ND1 E:HIS51 4.6 42.7 1.0
ND1 B:HIS51 4.6 42.6 1.0
CB E:THR291 4.8 29.1 1.0
CG2 E:THR291 4.9 29.0 1.0
N B:GLY53 5.0 33.5 1.0

Chlorine binding site 5 out of 9 in 3m1r

Go back to Chlorine Binding Sites List in 3m1r
Chlorine binding site 5 out of 9 in the The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl321

b:42.5
occ:1.00
 CA C:CA324 3.0 62.1 1.0
CA C:CA323 3.1 33.5 1.0
OD1 C:ASP154 3.3 39.0 1.0
ND1 C:HIS152 3.5 36.3 1.0
OD2 C:ASP244 3.8 39.5 1.0
OD2 C:ASP154 3.9 52.2 1.0
OD2 C:ASP242 3.9 36.3 1.0
CG C:ASP154 4.0 45.6 1.0
CE1 C:HIS152 4.2 40.3 1.0
CG C:HIS152 4.2 42.6 1.0
CB C:HIS152 4.5 37.0 1.0
O C:ASN165 4.5 49.7 1.0
ND2 C:ASN165 4.7 40.4 1.0
CD C:GLU287 4.7 43.6 1.0
CB C:ASN127 4.7 51.0 1.0
OE2 C:GLU287 4.7 50.6 1.0
O C:HOH342 4.8 31.7 1.0
CG C:GLU287 4.9 40.3 1.0
CG C:ASP244 4.9 36.5 1.0
OD1 C:ASN127 4.9 60.0 1.0
OD1 C:ASP150 4.9 29.9 1.0
OE1 C:GLU287 5.0 40.2 1.0

Chlorine binding site 6 out of 9 in 3m1r

Go back to Chlorine Binding Sites List in 3m1r
Chlorine binding site 6 out of 9 in the The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl322

b:89.3
occ:1.00
 NE2 F:HIS51 2.8 59.2 1.0
NE2 C:HIS51 3.1 44.9 1.0
CD2 C:HIS51 3.2 42.8 1.0
CE1 F:HIS51 3.6 56.3 1.0
OG1 C:THR291 3.6 33.1 1.0
CD2 F:HIS51 3.8 52.4 1.0
OG1 F:THR291 4.1 32.2 1.0
CB C:THR291 4.1 30.9 1.0
CE1 C:HIS51 4.3 51.9 1.0
CB F:THR291 4.4 31.4 1.0
CG2 F:THR291 4.4 26.4 1.0
CG C:HIS51 4.5 44.2 1.0
CG2 C:THR291 4.6 31.3 1.0
ND1 F:HIS51 4.8 52.8 1.0
CG F:HIS51 4.9 58.1 1.0

Chlorine binding site 7 out of 9 in 3m1r

Go back to Chlorine Binding Sites List in 3m1r
Chlorine binding site 7 out of 9 in the The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl320

b:53.4
occ:1.00
 CA D:CA322 2.9 84.9 1.0
OD1 D:ASP154 3.6 43.2 1.0
CA D:CA321 3.7 38.0 1.0
ND2 D:ASN165 3.9 59.3 1.0
OD1 D:ASN127 3.9 52.6 1.0
CB D:ASN127 4.2 49.1 1.0
OD2 D:ASP242 4.2 44.3 1.0
OD2 D:ASP244 4.2 40.0 1.0
OD2 D:ASP154 4.3 42.1 1.0
OE2 D:GLU287 4.3 51.8 1.0
CD D:GLU287 4.3 51.9 1.0
CG D:ASP154 4.4 43.4 1.0
CG D:ASN165 4.4 58.6 1.0
ND1 D:HIS152 4.5 45.7 1.0
CG D:ASN127 4.5 58.7 1.0
OE1 D:GLU287 4.6 48.5 1.0
O D:ASN165 4.6 52.8 1.0
CG D:GLU287 4.7 32.5 1.0
O D:HOH340 4.7 32.1 1.0
CB D:ASN165 4.7 54.0 1.0
C D:ASN165 4.8 48.2 1.0
CE1 D:HIS152 4.9 39.3 1.0
CG D:HIS152 4.9 41.8 1.0
CA D:GLY166 5.0 46.0 1.0

Chlorine binding site 8 out of 9 in 3m1r

Go back to Chlorine Binding Sites List in 3m1r
Chlorine binding site 8 out of 9 in the The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl321

b:34.5
occ:1.00
 CA E:CA323 2.7 61.7 1.0
OD1 E:ASP154 3.2 37.1 1.0
CA E:CA322 3.2 34.2 1.0
ND1 E:HIS152 3.7 30.3 1.0
OD2 E:ASP244 4.0 33.0 1.0
OD2 E:ASP154 4.0 39.6 1.0
CG E:ASP154 4.0 42.4 1.0
OD2 E:ASP242 4.1 34.3 1.0
CG E:HIS152 4.1 35.2 1.0
CB E:HIS152 4.3 35.6 1.0
CE1 E:HIS152 4.4 34.7 1.0
OD1 E:ASN127 4.5 31.4 1.0
ND2 E:ASN165 4.6 34.1 1.0
O E:ASN165 4.7 27.7 1.0
CB E:ASN127 4.9 35.8 1.0
OD2 E:ASP150 4.9 30.8 1.0
CD E:GLU287 4.9 34.4 1.0
CD2 E:HIS152 4.9 35.9 1.0
OE1 E:GLU287 4.9 30.4 1.0
OD1 E:ASP150 5.0 32.7 1.0

Chlorine binding site 9 out of 9 in 3m1r

Go back to Chlorine Binding Sites List in 3m1r
Chlorine binding site 9 out of 9 in the The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl320

b:48.6
occ:1.00
 CA F:CA322 2.9 77.4 1.0
CA F:CA321 3.5 39.2 1.0
OD1 F:ASP154 3.6 58.5 1.0
ND1 F:HIS152 3.9 41.3 1.0
OD2 F:ASP244 4.0 40.7 1.0
OD2 F:ASP242 4.2 42.2 1.0
ND2 F:ASN165 4.5 46.3 1.0
CG F:HIS152 4.5 47.9 1.0
CE1 F:HIS152 4.5 34.2 1.0
CG F:ASP154 4.6 58.9 1.0
O F:HOH336 4.6 34.5 1.0
CD F:GLU287 4.6 45.5 1.0
OD2 F:ASP154 4.7 63.1 1.0
OD1 F:ASN127 4.7 60.3 1.0
CB F:HIS152 4.7 44.1 1.0
CB F:ASN127 4.7 49.9 1.0
OE2 F:GLU287 4.7 49.2 1.0
O F:ASN165 4.8 44.5 1.0
OE1 F:GLU287 4.8 43.6 1.0
CG F:GLU287 4.9 42.8 1.0
CG F:ASN165 5.0 51.6 1.0

Reference:

K.Tan, L.Bigelow, K.Buck, A.Joachimiak. The Crystal Structure of Formimidoylglutamase From Bacillus Subtilis Subsp. Subtilis Str. 168 To Be Published.
Page generated: Sat Jul 20 23:54:47 2024

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