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Chlorine in PDB 8a21: Crystal Structure of Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole

Enzymatic activity of Crystal Structure of Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole

All present enzymatic activity of Crystal Structure of Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole:
3.1.3.3;

Protein crystallography data

The structure of Crystal Structure of Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole, PDB code: 8a21 was solved by M.Haufroid, J.Wouters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.09 / 2.18
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 65.57, 109.74, 133.97, 90, 90, 90
R / Rfree (%) 20.6 / 27.1

Other elements in 8a21:

The structure of Crystal Structure of Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole (pdb code 8a21). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole, PDB code: 8a21:

Chlorine binding site 1 out of 1 in 8a21

Go back to Chlorine Binding Sites List in 8a21
Chlorine binding site 1 out of 1 in the Crystal Structure of Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole


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 Phosphoserine Phosphatase Serb From Mycobacterium Avium in Complex with Phenylimidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:37.2
occ:1.00
 N A:LEU299 3.2 41.0 1.0
NH1 A:ARG280 3.2 39.2 1.0
N A:ARG280 3.3 36.4 1.0
CB A:ARG280 3.5 32.0 1.0
CB A:PHE278 3.5 35.2 1.0
N A:ARG279 3.6 35.0 1.0
CG A:ARG280 3.7 32.4 1.0
CA A:GLU298 3.7 43.6 1.0
CD A:ARG280 3.8 39.5 1.0
C A:PHE278 3.8 38.8 1.0
CB A:LEU299 3.9 35.1 1.0
C A:GLU298 3.9 39.6 1.0
CA A:PHE278 3.9 34.1 1.0
O A:ASN297 4.0 39.1 1.0
CA A:ARG280 4.0 36.2 1.0
CG A:LEU299 4.0 33.8 1.0
CA A:LEU299 4.1 39.0 1.0
CZ A:ARG280 4.2 41.4 1.0
C A:ARG279 4.3 39.4 1.0
CG A:GLU298 4.3 46.4 1.0
CA A:ARG279 4.3 41.5 1.0
CD1 A:LEU299 4.4 36.4 1.0
NE A:ARG280 4.4 35.6 1.0
O A:PHE278 4.5 31.9 1.0
CB A:GLU298 4.5 43.5 1.0
CG A:PHE278 4.6 34.8 1.0
CB A:ARG279 4.6 39.9 1.0
N A:GLU298 4.7 40.4 1.0
O A:LEU299 4.7 40.0 1.0
O A:HOH783 4.7 49.4 1.0
C A:ASN297 4.7 37.0 1.0
CD1 A:PHE278 4.9 29.2 1.0
C A:LEU299 4.9 37.1 1.0

Reference:

M.Haufroid, A.N.Volkov, J.Wouters. Targeting the Phosphoserine Phosphatase MTSERB2 For Tuberculosis Drug Discovery, An Hybrid Knowledge Based /Fragment Based Approach. Eur.J.Med.Chem. V. 245 14935 2022.
ISSN: ISSN 0223-5234
PubMed: 36403421
DOI: 10.1016/J.EJMECH.2022.114935
Page generated: Tue Jul 30 06:27:54 2024

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