Chlorine in PDB 8sqr: Crystal Structure of Bacterioferritin (Bfr) From Brucella Abortus (Iron Bound, F16L Mutant)

Enzymatic activity of Crystal Structure of Bacterioferritin (Bfr) From Brucella Abortus (Iron Bound, F16L Mutant)

All present enzymatic activity of Crystal Structure of Bacterioferritin (Bfr) From Brucella Abortus (Iron Bound, F16L Mutant):
1.16.3.1;

Protein crystallography data

The structure of Crystal Structure of Bacterioferritin (Bfr) From Brucella Abortus (Iron Bound, F16L Mutant), PDB code: 8sqr was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.63 / 1.65
Space group P 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 113.032, 113.032, 113.032, 90, 90, 90
R / Rfree (%) 17.3 / 18.6

Other elements in 8sqr:

The structure of Crystal Structure of Bacterioferritin (Bfr) From Brucella Abortus (Iron Bound, F16L Mutant) also contains other interesting chemical elements:

Iron (Fe) 6 atoms
Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Bacterioferritin (Bfr) From Brucella Abortus (Iron Bound, F16L Mutant) (pdb code 8sqr). 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 Bacterioferritin (Bfr) From Brucella Abortus (Iron Bound, F16L Mutant), PDB code: 8sqr:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 8sqr

Go back to Chlorine Binding Sites List in 8sqr
Chlorine binding site 1 out of 3 in the Crystal Structure of Bacterioferritin (Bfr) From Brucella Abortus (Iron Bound, F16L Mutant)


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 Bacterioferritin (Bfr) From Brucella Abortus (Iron Bound, F16L Mutant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:16.3
occ:0.25
 O A:HOH321 3.2 15.1 0.2
NH1 A:ARG148 3.3 18.9 1.0
CG A:ARG148 3.6 13.1 1.0
CD A:ARG148 3.6 16.8 1.0
CZ A:ARG148 4.3 17.5 1.0
NE A:ARG148 4.5 18.2 1.0
OE1 A:GLN151 4.5 20.6 1.0

Chlorine binding site 2 out of 3 in 8sqr

Go back to Chlorine Binding Sites List in 8sqr
Chlorine binding site 2 out of 3 in the Crystal Structure of Bacterioferritin (Bfr) From Brucella Abortus (Iron Bound, F16L Mutant)


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 Bacterioferritin (Bfr) From Brucella Abortus (Iron Bound, F16L Mutant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:31.0
occ:1.00
 OH A:TYR37 3.1 31.3 1.0
N A:VAL83 3.3 18.8 0.5
N A:VAL83 3.3 18.9 0.5
CB A:ASN82 3.5 21.9 1.0
CA A:ASN82 3.6 18.3 1.0
CE2 A:TYR37 3.6 28.0 1.0
CZ A:TYR37 3.8 26.8 1.0
CG2 A:VAL83 3.9 18.1 0.5
CG1 A:VAL83 3.9 26.5 0.5
C A:ASN82 4.0 17.2 1.0
CB A:VAL83 4.1 18.9 0.5
CB A:VAL83 4.2 18.1 0.5
O A:HOH397 4.2 25.2 1.0
CA A:VAL83 4.4 18.9 0.5
CA A:VAL83 4.4 18.9 0.5
CE3 A:TRP35 4.7 19.4 1.0
CG A:ASN82 4.8 24.3 1.0
CD2 A:TYR37 4.9 24.1 1.0
CZ3 A:TRP35 4.9 24.2 1.0
O A:GLN81 4.9 28.0 1.0
N A:ASN82 5.0 21.3 1.0

Chlorine binding site 3 out of 3 in 8sqr

Go back to Chlorine Binding Sites List in 8sqr
Chlorine binding site 3 out of 3 in the Crystal Structure of Bacterioferritin (Bfr) From Brucella Abortus (Iron Bound, F16L Mutant)


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 Bacterioferritin (Bfr) From Brucella Abortus (Iron Bound, F16L Mutant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:69.6
occ:1.00
 O A:HOH419 3.1 36.4 1.0
NH1 A:ARG61 3.3 30.3 1.0
CD A:ARG61 3.7 24.6 1.0
O A:HOH337 4.1 37.6 1.0
CZ A:ARG61 4.3 28.8 1.0
NE A:ARG61 4.4 24.6 1.0
CD2 A:PHE64 4.5 29.6 1.0
CA A:ARG61 4.8 18.9 1.0
CG A:PHE64 4.8 27.2 1.0
CB A:ARG61 4.9 21.3 1.0
CG1 A:VAL115 4.9 27.6 1.0
CG A:ARG61 4.9 22.2 1.0
CB A:PHE64 4.9 25.9 1.0
CE2 A:PHE64 5.0 31.9 1.0

Reference:

S.Lovell, L.Liu, K.P.Battaile. Crystal Structure of Bacterioferritin (Bfr) From Brucella Abortus (Iron Bound, F16L Mutant) To Be Published.
Page generated: Tue Jul 30 12:34:53 2024

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