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Chlorine in PDB 5fiw: Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution

Enzymatic activity of Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution

All present enzymatic activity of Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution:
1.11.2.2;

Protein crystallography data

The structure of Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution, PDB code: 5fiw was solved by L.Bonnefond, J.Cavarelli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 95.31 / 1.70
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 105.160, 105.160, 225.520, 90.00, 90.00, 90.00
R / Rfree (%) 16.296 / 19.267

Other elements in 5fiw:

The structure of Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution also contains other interesting chemical elements:

Iron (Fe) 2 atoms
Calcium (Ca) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution (pdb code 5fiw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution, PDB code: 5fiw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 5fiw

Go back to Chlorine Binding Sites List in 5fiw
Chlorine binding site 1 out of 5 in the Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms 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 Human Myeloperoxidase at 1.7 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:14.1
occ:0.96
 O A:HOH2056 3.1 15.0 1.0
N A:TRP32 3.2 14.1 1.0
N C:VAL327 3.2 13.7 1.0
CB C:ASN326 3.7 14.2 1.0
N C:ASN326 3.7 12.1 1.0
CH2 C:TRP436 3.7 14.1 1.0
CA A:ARG31 3.7 17.1 1.0
CB C:VAL327 3.8 12.7 1.0
CG1 C:VAL327 3.9 13.7 1.0
C A:ARG31 3.9 19.2 1.0
CA C:ASN326 4.0 13.1 1.0
O A:VAL30 4.0 16.5 1.0
C C:ASN326 4.1 12.9 1.0
CA C:VAL327 4.1 12.4 1.0
CZ2 C:TRP436 4.1 16.0 1.0
N A:LEU33 4.1 14.2 1.0
CA A:TRP32 4.1 17.7 1.0
CB A:TRP32 4.2 17.3 1.0
CD2 C:LEU430 4.3 13.8 1.0
CB C:ALA325 4.4 12.7 1.0
O A:LEU33 4.5 15.5 1.0
C C:ALA325 4.5 13.7 1.0
CB A:ARG31 4.5 20.1 1.0
CD A:ARG31 4.5 22.2 1.0
C A:TRP32 4.6 17.2 1.0
CG A:TRP32 4.8 16.0 1.0
NH1 A:ARG31 4.8 15.9 1.0
N A:ARG31 4.8 14.5 1.0
C A:VAL30 4.8 14.1 1.0
CA C:ALA325 4.8 13.4 1.0
CG C:ASN326 4.9 19.0 1.0
CZ3 C:TRP436 4.9 13.8 1.0
CG A:ARG31 4.9 24.0 1.0

Chlorine binding site 2 out of 5 in 5fiw

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Chlorine binding site 2 out of 5 in the Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms 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 Human Myeloperoxidase at 1.7 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:15.0
occ:1.00
 N B:TRP32 3.1 16.1 1.0
O B:HOH2047 3.2 16.7 1.0
N D:VAL327 3.2 12.1 1.0
CB D:ASN326 3.7 16.1 1.0
CH2 D:TRP436 3.7 13.4 1.0
N D:ASN326 3.7 12.9 1.0
CA B:ARG31 3.7 14.0 1.0
CB D:VAL327 3.8 13.9 1.0
CG1 D:VAL327 3.9 14.2 1.0
C B:ARG31 3.9 14.8 1.0
O B:VAL30 4.0 14.8 1.0
CA D:ASN326 4.0 12.1 1.0
CZ2 D:TRP436 4.0 13.6 1.0
C D:ASN326 4.1 12.8 1.0
CA B:TRP32 4.1 16.2 1.0
CA D:VAL327 4.1 13.6 1.0
CB B:TRP32 4.1 15.0 1.0
N B:LEU33 4.1 15.1 1.0
CB D:ALA325 4.4 15.9 1.0
CD2 D:LEU430 4.4 16.8 1.0
C D:ALA325 4.4 14.3 1.0
CB B:ARG31 4.5 21.1 1.0
O B:LEU33 4.5 16.6 1.0
CD B:ARG31 4.6 18.4 1.0
C B:TRP32 4.6 16.7 1.0
CG B:TRP32 4.8 14.2 1.0
CA D:ALA325 4.8 13.2 1.0
N B:ARG31 4.8 13.9 1.0
C B:VAL30 4.8 16.3 1.0
NH1 B:ARG31 4.8 15.1 1.0
CZ3 D:TRP436 4.8 14.4 1.0
CG D:ASN326 4.9 15.4 1.0
CG B:ARG31 4.9 20.5 1.0

Chlorine binding site 3 out of 5 in 5fiw

Go back to Chlorine Binding Sites List in 5fiw
Chlorine binding site 3 out of 5 in the Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms 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 Human Myeloperoxidase at 1.7 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl611

b:22.1
occ:0.96
 O C:HOH2195 3.1 36.1 1.0
O C:HOH2216 3.1 22.2 1.0
NE C:ARG382 3.3 19.2 1.0
N C:THR544 3.3 18.6 1.0
NH2 C:ARG382 3.5 19.6 1.0
OG1 C:THR544 3.7 21.7 1.0
CG2 C:ILE543 3.7 17.3 1.0
N C:THR545 3.8 18.1 1.0
CA C:ILE543 3.8 17.8 1.0
CZ C:ARG382 3.9 19.3 1.0
C C:ILE543 4.1 19.0 1.0
O C:HOH2299 4.1 27.5 1.0
CE1 C:TYR350 4.1 19.9 1.0
O C:THR545 4.2 18.0 1.0
CA C:ASN348 4.2 22.4 1.0
CB C:ASN348 4.2 22.9 1.0
CD C:ARG382 4.3 17.8 1.0
O C:ASN348 4.3 25.8 1.0
CA C:THR544 4.3 20.2 1.0
CB C:ILE543 4.3 16.4 1.0
C C:THR544 4.5 23.3 1.0
CB C:THR545 4.6 23.5 1.0
CB C:THR544 4.6 21.2 1.0
CA C:THR545 4.7 18.5 1.0
C C:ASN348 4.7 24.4 1.0
CG1 C:ILE543 4.7 16.3 1.0
CD1 C:TYR350 4.8 19.1 1.0
O C:GLY542 4.8 19.5 1.0
C C:THR545 4.9 19.4 1.0
CZ C:TYR350 5.0 19.0 1.0
OH C:TYR350 5.0 18.0 1.0
CG C:ARG382 5.0 18.0 1.0

Chlorine binding site 4 out of 5 in 5fiw

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Chlorine binding site 4 out of 5 in the Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms 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 Human Myeloperoxidase at 1.7 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl612

b:29.8
occ:0.99
 N C:PHE213 3.4 16.7 1.0
O C:HOH2087 3.4 31.9 1.0
N C:GLN201 3.4 23.8 1.0
CA C:ASN200 3.8 18.5 1.0
CA C:PRO212 3.8 20.0 1.0
ND2 C:ASN200 3.9 18.7 1.0
CG C:ASN200 3.9 24.0 1.0
C C:PRO212 4.1 19.3 1.0
CB C:PRO212 4.1 23.7 1.0
C C:ASN200 4.1 18.4 1.0
OD1 C:ASN200 4.2 22.3 1.0
CB C:PHE213 4.2 21.3 1.0
CD2 C:PHE213 4.2 21.0 1.0
CB C:GLN201 4.4 30.8 1.0
CA C:PHE213 4.4 18.4 1.0
CG C:GLN201 4.4 29.9 1.0
CB C:ASN200 4.5 18.8 1.0
CG C:PHE213 4.5 18.8 1.0
CA C:GLN201 4.5 29.1 1.0
O C:VAL199 4.5 20.9 1.0
O C:PHE213 4.7 21.6 1.0
N C:ASN200 4.8 18.4 1.0
N C:ARG202 5.0 23.1 1.0

Chlorine binding site 5 out of 5 in 5fiw

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Chlorine binding site 5 out of 5 in the Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl612

b:27.4
occ:0.96
 N D:PHE213 3.3 18.8 1.0
N D:GLN201 3.4 22.6 1.0
O D:HOH2094 3.6 30.8 1.0
CA D:ASN200 3.8 18.8 1.0
CA D:PRO212 3.8 21.4 1.0
ND2 D:ASN200 3.8 19.8 1.0
CG D:ASN200 3.9 21.1 1.0
C D:PRO212 4.0 23.8 1.0
OD1 D:ASN200 4.1 22.5 1.0
CB D:PRO212 4.1 24.3 1.0
C D:ASN200 4.1 21.9 1.0
CD2 D:PHE213 4.2 22.3 1.0
CB D:PHE213 4.2 21.5 1.0
CA D:PHE213 4.3 19.6 1.0
CB D:GLN201 4.4 30.3 1.0
CB D:ASN200 4.4 18.6 1.0
CG D:PHE213 4.4 20.8 1.0
CA D:GLN201 4.5 25.2 1.0
CG D:GLN201 4.5 29.9 1.0
O D:VAL199 4.6 21.8 1.0
O D:PHE213 4.7 22.0 1.0
N D:ASN200 4.8 18.1 1.0
N D:ARG202 4.9 22.6 1.0

Reference:

L.Bonnefond, J.Cavarelli. Crystal Structure of Human Myeloperoxidase at 1.7 Angstroms Resolution To Be Published.
Page generated: Fri Jul 26 07:55:10 2024

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