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Chlorine in PDB 3rf7: Crystal Structure of An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution

Protein crystallography data

The structure of Crystal Structure of An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution, PDB code: 3rf7 was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.95 / 2.12
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 121.074, 121.074, 275.666, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 19.7

Other elements in 3rf7:

The structure of Crystal Structure of An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution also contains other interesting chemical elements:

Nickel (Ni) 1 atom
Iron (Fe) 1 atom
Calcium (Ca) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution (pdb code 3rf7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution, PDB code: 3rf7:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3rf7

Go back to Chlorine Binding Sites List in 3rf7
Chlorine binding site 1 out of 4 in the Crystal Structure of An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution


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 An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl362

b:29.9
occ:1.00
NE2 A:GLN75 3.3 27.8 1.0
O A:HOH643 3.3 40.6 1.0
N A:ASN66 3.4 29.2 1.0
O A:HOH716 3.5 55.2 1.0
CA A:VAL65 3.7 26.9 1.0
CB A:VAL65 3.9 26.8 1.0
C A:VAL65 4.1 28.2 1.0
CD2 A:LEU79 4.1 24.7 1.0
CG1 A:VAL65 4.2 24.4 1.0
CD A:GLN75 4.3 29.8 1.0
CB A:ASN66 4.3 30.4 1.0
CA A:ASN66 4.3 30.0 1.0
CG A:GLN75 4.3 27.7 1.0
O A:ASN66 4.5 30.0 1.0
CD1 A:LEU79 4.5 27.6 1.0
CG A:LEU79 4.6 27.7 1.0
O A:HOH471 4.7 35.0 1.0
O A:TYR64 4.8 29.1 1.0
O A:HOH609 4.8 46.5 1.0
C A:ASN66 4.8 29.6 1.0
N A:VAL65 4.9 27.8 1.0
O A:HOH498 4.9 41.7 1.0

Chlorine binding site 2 out of 4 in 3rf7

Go back to Chlorine Binding Sites List in 3rf7
Chlorine binding site 2 out of 4 in the Crystal Structure of An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution


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 An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl363

b:59.2
occ:1.00
O A:HOH717 2.9 65.0 1.0
N A:GLY290 3.4 42.8 1.0
O A:HOH661 3.5 43.5 1.0
C A:TYR287 3.6 48.9 1.0
CA A:TYR287 3.6 48.9 1.0
N A:GLU289 3.7 47.5 1.0
O A:HOH587 3.8 68.0 1.0
CB A:TYR287 3.9 48.0 1.0
O A:HOH586 3.9 63.7 1.0
O A:TYR287 3.9 48.6 1.0
N A:PRO288 3.9 49.0 1.0
CB A:GLU289 4.0 47.6 1.0
CD A:PRO288 4.1 49.4 1.0
CG1 A:VAL200 4.2 34.3 1.0
CA A:GLU289 4.2 47.2 1.0
CA A:GLY290 4.2 41.4 1.0
C A:GLU289 4.3 45.1 1.0
C A:PRO288 4.6 48.5 1.0
CD1 A:TYR287 4.6 44.8 1.0
OE1 A:GLU289 4.7 62.3 1.0
CG A:TYR287 4.8 46.3 1.0
CA A:PRO288 4.8 49.0 1.0
N A:TYR287 4.9 50.4 1.0

Chlorine binding site 3 out of 4 in 3rf7

Go back to Chlorine Binding Sites List in 3rf7
Chlorine binding site 3 out of 4 in the Crystal Structure of An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution


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 An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl364

b:60.0
occ:1.00
N A:GLY162 3.2 34.7 1.0
OG1 A:THR151 3.4 30.4 1.0
CA A:GLY162 3.5 33.4 1.0
ND2 A:ASN164 3.5 38.1 1.0
OD1 A:ASN164 3.9 41.0 1.0
CG A:ASN164 4.1 35.1 1.0
CG2 A:THR151 4.3 25.8 1.0
CB A:THR151 4.3 27.8 1.0
CD1 A:LEU161 4.3 38.8 1.0
C A:LEU161 4.3 36.2 1.0
CG2 A:VAL153 4.4 27.5 1.0
C A:GLY162 4.4 32.5 1.0
CA A:LEU161 4.7 38.1 1.0
O A:GLY162 4.7 31.6 1.0

Chlorine binding site 4 out of 4 in 3rf7

Go back to Chlorine Binding Sites List in 3rf7
Chlorine binding site 4 out of 4 in the Crystal Structure of An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of An Iron-Containing Alcohol Dehydrogenase (SDEN_2133) From Shewanella Denitrificans Os-217 at 2.12 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl365

b:66.8
occ:1.00
O A:HOH477 3.0 35.5 1.0
N A:THR185 3.3 35.1 1.0
OG1 A:THR185 3.7 39.0 1.0
CB A:THR185 3.9 35.7 1.0
CA A:PRO184 4.0 36.5 1.0
C A:PRO184 4.1 35.7 1.0
CB A:PRO184 4.2 36.6 1.0
CA A:THR185 4.2 34.7 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sat Dec 12 10:07:00 2020

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