Chlorine in PDB 8ruf: Crystal Structure of Rhizobium Etli L-Asparaginase Reav D187A Mutant

Protein crystallography data

The structure of Crystal Structure of Rhizobium Etli L-Asparaginase Reav D187A Mutant, PDB code: 8ruf was solved by K.Pokrywka, M.Grzechowiak, J.Sliwiak, P.Worsztynowicz, J.I.Loch, M.Ruszkowski, M.Gilski, M.Jaskolski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.57 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 77.715, 91.26, 114.197, 90, 96.95, 90
R / Rfree (%) 15.8 / 18.4

Other elements in 8ruf:

The structure of Crystal Structure of Rhizobium Etli L-Asparaginase Reav D187A Mutant also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Rhizobium Etli L-Asparaginase Reav D187A Mutant (pdb code 8ruf). 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 Rhizobium Etli L-Asparaginase Reav D187A Mutant, PDB code: 8ruf:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 8ruf

Go back to Chlorine Binding Sites List in 8ruf
Chlorine binding site 1 out of 4 in the Crystal Structure of Rhizobium Etli L-Asparaginase Reav D187A 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 Rhizobium Etli L-Asparaginase Reav D187A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:36.0
occ:1.00
 O A:HOH798 2.8 41.8 1.0
OG1 A:THR341 3.0 23.1 1.0
NH1 A:ARG12 3.2 17.7 1.0
CB A:ASN335 3.6 20.9 1.0
CA B:GLY188 3.6 17.9 1.0
CA A:ASN335 3.7 24.3 1.0
NH2 A:ARG12 3.7 19.9 1.0
CG2 A:THR341 3.9 22.2 1.0
CB A:THR341 3.9 19.0 1.0
CZ A:ARG12 3.9 19.9 1.0
N B:GLY188 3.9 18.8 1.0
N A:ASN335 4.1 22.2 1.0
O A:HOH616 4.1 26.5 1.0
O A:VAL334 4.3 26.2 1.0
C A:VAL334 4.3 25.2 1.0
O A:HOH805 4.4 43.5 1.0
C B:ALA187 4.5 17.8 1.0
O B:ALA187 4.6 19.6 1.0
O B:HOH799 4.7 39.6 1.0
C B:GLY188 4.9 18.1 1.0
N A:VAL334 5.0 24.0 1.0

Chlorine binding site 2 out of 4 in 8ruf

Go back to Chlorine Binding Sites List in 8ruf
Chlorine binding site 2 out of 4 in the Crystal Structure of Rhizobium Etli L-Asparaginase Reav D187A 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 Rhizobium Etli L-Asparaginase Reav D187A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:39.2
occ:1.00
 OG1 B:THR341 3.2 23.4 1.0
NH1 B:ARG12 3.2 21.4 1.0
CB B:ASN335 3.6 20.6 1.0
O B:HOH819 3.6 38.1 1.0
CA B:ASN335 3.7 22.9 1.0
CA A:GLY188 3.7 21.8 1.0
NH2 B:ARG12 3.7 22.6 1.0
CG2 B:THR341 3.9 25.0 1.0
CZ B:ARG12 3.9 19.2 1.0
N A:GLY188 4.0 18.7 1.0
CB B:THR341 4.0 21.6 1.0
N B:ASN335 4.1 21.7 1.0
O B:VAL334 4.2 24.0 1.0
C B:VAL334 4.2 21.8 1.0
C A:ALA187 4.5 17.7 1.0
O A:HOH765 4.5 46.6 1.0
O A:ALA187 4.6 19.4 1.0
O B:HOH735 4.8 23.2 1.0
N B:VAL334 4.9 23.3 1.0
C A:GLY188 5.0 22.4 1.0
CG B:ASN335 5.0 24.7 1.0

Chlorine binding site 3 out of 4 in 8ruf

Go back to Chlorine Binding Sites List in 8ruf
Chlorine binding site 3 out of 4 in the Crystal Structure of Rhizobium Etli L-Asparaginase Reav D187A 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 Rhizobium Etli L-Asparaginase Reav D187A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl404

b:35.0
occ:1.00
 O C:HOH819 2.9 36.2 1.0
OG1 C:THR341 3.0 21.8 1.0
NH1 C:ARG12 3.2 21.6 1.0
O C:HOH822 3.4 35.9 1.0
CB C:ASN335 3.5 19.8 1.0
CA D:GLY188 3.5 17.6 1.0
CA C:ASN335 3.6 20.7 1.0
NH2 C:ARG12 3.7 22.6 1.0
N D:GLY188 3.9 19.1 1.0
CZ C:ARG12 3.9 22.3 1.0
CB C:THR341 4.0 20.2 1.0
N C:ASN335 4.0 21.6 1.0
CG2 C:THR341 4.0 20.7 1.0
O C:HOH650 4.0 23.5 1.0
C C:VAL334 4.2 25.0 1.0
O C:HOH776 4.2 43.5 1.0
O C:VAL334 4.2 27.8 1.0
C D:ALA187 4.4 19.4 1.0
O C:HOH838 4.4 48.0 1.0
O D:ALA187 4.4 20.4 1.0
O D:HOH814 4.5 40.4 1.0
C D:GLY188 4.8 19.6 1.0
CG C:ASN335 4.9 21.1 1.0
N C:VAL334 5.0 22.1 1.0

Chlorine binding site 4 out of 4 in 8ruf

Go back to Chlorine Binding Sites List in 8ruf
Chlorine binding site 4 out of 4 in the Crystal Structure of Rhizobium Etli L-Asparaginase Reav D187A Mutant


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 Rhizobium Etli L-Asparaginase Reav D187A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl414

b:34.4
occ:1.00
 OG1 D:THR341 3.1 22.7 1.0
NH1 D:ARG12 3.3 18.1 1.0
O D:HOH830 3.4 42.4 1.0
CB D:ASN335 3.5 19.6 1.0
CA C:GLY188 3.6 16.9 1.0
CA D:ASN335 3.7 23.2 1.0
NH2 D:ARG12 3.8 20.6 1.0
CG2 D:THR341 3.9 25.1 1.0
N C:GLY188 4.0 18.1 1.0
CZ D:ARG12 4.0 18.1 1.0
N D:ASN335 4.0 21.2 1.0
CB D:THR341 4.0 21.1 1.0
C D:VAL334 4.3 23.5 1.0
O D:VAL334 4.3 25.1 1.0
O D:HOH864 4.4 39.9 1.0
C C:ALA187 4.5 18.5 1.0
O C:ALA187 4.6 20.7 1.0
O D:HOH761 4.7 25.6 1.0
O C:HOH738 4.7 42.8 1.0
C C:GLY188 4.9 22.9 1.0
O D:HOH813 4.9 41.7 1.0
CG D:ASN335 4.9 24.9 1.0

Reference:

K.Pokrywka, M.Grzechowiak, J.Sliwiak, P.Worsztynowicz, J.I.Loch, M.Ruszkowski, M.Gilski, M.Jaskolski. Probing the Active Site of Class 3 L-Asparaginase By Mutagenesis. I. Tinkering with the Zinc Coordination Site of Reav Front Chem 2024.
ISSN: ESSN 2296-2646
DOI: 10.3389/FCHEM.2024.1381032
Page generated: Tue Jul 30 12:19:30 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy