Zinc in PDB 8hfn: Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7B

Enzymatic activity of Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7B

All present enzymatic activity of Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7B:
6.3.1.13;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7B, PDB code: 8hfn was solved by L.Pang, S.D.Weeks, S.V.Strelkov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.34 / 1.98
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 166.021, 166.021, 51.359, 90, 90, 120
R / Rfree (%) 18.5 / 20.8

Other elements in 8hfn:

The structure of Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7B also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7B (pdb code 8hfn). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7B, PDB code: 8hfn:

Zinc binding site 1 out of 1 in 8hfn

Go back to Zinc Binding Sites List in 8hfn
Zinc binding site 1 out of 1 in the Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7B


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Mycobacterium Smegmatis Mshc in Complex with Compound 7B within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn503

b:40.0
occ:1.00
 NE2 A:HIS256 2.3 38.8 1.0
SG A:CYS231 2.3 39.5 1.0
SG A:CYS43 2.3 37.6 1.0
S3 A:XGC502 2.3 41.7 1.0
CD2 A:HIS256 3.0 40.6 1.0
CB A:CYS43 3.1 36.0 1.0
CB A:CYS231 3.3 41.9 1.0
CE1 A:HIS256 3.3 40.6 1.0
C3 A:XGC502 3.5 37.4 1.0
CA A:CYS43 4.0 38.8 1.0
NE1 A:TRP227 4.2 40.5 1.0
CG A:HIS256 4.2 41.7 1.0
ND1 A:HIS256 4.3 39.9 1.0
OD1 A:ASN81 4.4 40.5 1.0
ND2 A:ASN81 4.4 36.5 1.0
OH A:TYR41 4.7 39.8 1.0
CG A:ASN81 4.7 40.9 1.0
CD1 A:LEU252 4.7 38.6 1.0
CE1 A:TYR41 4.7 44.8 1.0
O A:HOH687 4.7 42.5 1.0
CA A:CYS231 4.7 39.2 1.0
CE2 A:TRP227 4.8 40.9 1.0
C2 A:XGC502 4.9 41.4 1.0
CZ2 A:TRP227 4.9 39.4 1.0
C A:CYS43 5.0 39.1 1.0
CD1 A:TRP227 5.0 37.8 1.0

Reference:

L.Pang, S.Lenders, E.M.Osipov, S.D.Weeks, J.Rozenski, T.Piller, D.Cappoen, S.V.Strelkov, A.Van Aerschot. Structural Basis of Cysteine Ligase Mshc Inhibition By Cysteinyl-Sulfonamides. Int J Mol Sci V. 23 2022.
ISSN: ESSN 1422-0067
PubMed: 36499418
DOI: 10.3390/IJMS232315095
Page generated: Thu Oct 31 07:13:07 2024

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