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Bromine in PDB 7mda: Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1

Enzymatic activity of Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1

All present enzymatic activity of Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1:
2.5.1.48; 4.4.1.1; 4.4.1.8;

Protein crystallography data

The structure of Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1, PDB code: 7mda was solved by A.Nuthanakanti, A.Serganov, A.Kaushik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.95 / 2.24
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 105.227, 105.227, 287.668, 90, 90, 90
R / Rfree (%) 18.4 / 21.1

Other elements in 7mda:

The structure of Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1 also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1 (pdb code 7mda). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1, PDB code: 7mda:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 7mda

Go back to Bromine Binding Sites List in 7mda
Bromine binding site 1 out of 2 in the Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br401

b:85.0
occ:0.44
ND1 H:HIS12 3.7 74.6 1.0
CB H:HIS12 4.0 69.8 1.0
O H:SER54 4.0 54.4 1.0
C H:SER54 4.2 50.1 1.0
CB H:SER54 4.2 50.8 1.0
O H:HOH593 4.2 58.9 1.0
CG H:HIS12 4.3 75.3 1.0
N H:SER55 4.4 47.8 1.0
CB H:SER58 4.5 53.0 1.0
CA H:SER55 4.5 48.1 1.0
OG H:SER58 4.7 57.3 1.0
CE1 H:HIS12 4.8 63.4 1.0
CA H:SER54 4.8 52.1 1.0
O H:HIS12 4.9 64.9 1.0

Bromine binding site 2 out of 2 in 7mda

Go back to Bromine Binding Sites List in 7mda
Bromine binding site 2 out of 2 in the Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Staphylococcus Aureus Cystathionine Gamma Lyase Holoenzyme Y103A Mutant Co-Crystallized with NL1 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br402

b:82.1
occ:0.46
BR H:LB6402 0.0 82.1 0.5
C6 H:LB6402 1.9 74.0 0.3
C7 H:LB6402 2.8 75.7 1.0
C5 H:LB6402 2.8 70.7 1.0
N H:SER1 3.3 78.9 1.0
CA H:LYS6 3.7 60.1 1.0
N H:LYS6 4.0 59.4 1.0
CG2 H:THR5 4.1 52.1 1.0
C8 H:LB6402 4.1 76.7 0.7
C4 H:LB6402 4.2 78.0 0.9
CB H:LYS6 4.2 62.1 1.0
C H:THR5 4.3 57.4 1.0
O H:THR5 4.3 56.0 1.0
CB H:HIS9 4.4 53.9 1.0
CB H:THR5 4.7 51.2 1.0
C9 H:LB6402 4.7 75.3 0.5
CA H:SER1 4.8 74.4 1.0
CG H:LYS6 4.8 70.4 1.0
N H:GLY10 4.9 55.4 1.0
C H:LYS6 4.9 58.8 1.0
C H:HIS9 4.9 61.3 1.0

Reference:

K.Shatalin, A.Nuthanakanti, A.Kaushik, D.Shishov, A.Peselis, I.Shamovsky, B.Pani, M.Lechpammer, N.Vasilyev, E.Shatalina, D.Rebatchouk, A.Mironov, P.Fedichev, A.Serganov, E.Nudler. Inhibitors of Bacterial H 2 S Biogenesis Targeting Antibiotic Resistance and Tolerance. Science V. 372 1169 2021.
ISSN: ESSN 1095-9203
PubMed: 34112687
DOI: 10.1126/SCIENCE.ABD8377
Page generated: Thu Jul 11 04:06:28 2024

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