Magnesium in PDB 8sac: Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (P21212 Form)

All present enzymatic activity of Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (P21212 Form):
4.4.1.8;

The structure of Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (P21212 Form), PDB code: 8sac was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.86 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.848, 190.81, 79.037, 90, 90, 90
R / Rfree (%)	16.5 / 19.2

The binding sites of Magnesium atom in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (P21212 Form) (pdb code 8sac). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (P21212 Form), PDB code: 8sac:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (P21212 Form)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (P21212 Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:47.3 occ:1.00 O A:ALA362 2.4 51.1 1.0 O A:ARG359 2.4 47.9 1.0 O A:ALA356 2.4 45.1 1.0 O A:HOH968 2.5 54.5 1.0 C A:ARG359 3.3 44.9 1.0 C A:ALA356 3.5 45.5 1.0 C A:ALA362 3.5 51.8 1.0 N A:ALA362 3.8 49.1 1.0 CA A:ARG359 4.1 40.4 1.0 CB A:ARG359 4.1 46.0 1.0 N A:ARG359 4.2 39.2 1.0 CA A:ALA356 4.2 39.4 1.0 N A:PRO360 4.2 43.9 1.0 N A:GLU361 4.2 49.3 1.0 CA A:ALA362 4.3 49.5 1.0 CA A:PRO360 4.3 44.4 1.0 C A:PRO360 4.4 45.3 1.0 CB A:ALA356 4.5 45.3 1.0 N A:ALA357 4.5 46.5 1.0 N A:GLU363 4.6 53.8 1.0 CA A:ALA357 4.7 42.5 1.0 C A:ALA357 4.8 43.8 1.0 OE2 A:GLU363 4.8 84.2 1.0 C A:GLU361 4.9 54.5 1.0 CA A:GLU363 4.9 52.1 1.0 OE1 A:GLU363 5.0 65.9 1.0 CD A:GLU363 5.0 77.9 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (P21212 Form)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (P21212 Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:43.1 occ:1.00 O B:ALA362 2.2 38.0 1.0 O B:ARG359 2.4 32.8 1.0 O B:ALA356 2.6 28.5 1.0 O B:HOH721 2.6 43.2 1.0 C B:ALA362 3.4 39.3 1.0 C B:ARG359 3.4 33.5 1.0 C B:ALA356 3.6 32.5 1.0 N B:ALA362 3.8 39.3 1.0 CB B:ARG359 4.0 31.0 1.0 CA B:ALA356 4.1 29.1 1.0 CA B:ARG359 4.1 37.0 1.0 CA B:ALA362 4.2 35.0 1.0 O B:HOH502 4.2 54.6 1.0 N B:ARG359 4.4 29.4 1.0 CB B:ALA356 4.4 30.1 1.0 N B:PRO360 4.4 30.5 1.0 N B:GLU363 4.4 38.5 1.0 N B:GLU361 4.4 35.7 1.0 CA B:PRO360 4.5 33.6 1.0 CA B:GLU363 4.6 43.4 1.0 C B:PRO360 4.6 32.0 1.0 N B:ALA357 4.7 29.0 1.0 CB B:ALA362 4.9 37.6 1.0 C B:GLU361 5.0 43.0 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (P21212 Form)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (P21212 Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg402 b:42.2 occ:1.00 O C:ALA362 2.2 44.8 1.0 O C:HOH657 2.3 44.3 1.0 O C:ARG359 2.4 40.1 1.0 O C:ALA356 2.4 42.0 1.0 C C:ARG359 3.4 40.0 1.0 C C:ALA362 3.4 46.7 1.0 C C:ALA356 3.5 41.1 1.0 N C:ALA362 3.7 38.7 1.0 CA C:ARG359 4.1 36.1 1.0 CA C:ALA362 4.1 37.8 1.0 CB C:ARG359 4.2 36.4 1.0 N C:GLU361 4.2 45.9 1.0 CA C:ALA356 4.2 36.6 1.0 N C:ARG359 4.2 37.2 1.0 N C:PRO360 4.3 37.0 1.0 CA C:PRO360 4.4 35.7 1.0 C C:PRO360 4.4 38.3 1.0 N C:GLU363 4.5 49.7 1.0 CB C:ALA356 4.5 40.5 1.0 OE2 C:GLU363 4.6 73.9 1.0 N C:ALA357 4.6 41.8 1.0 OE1 C:GLU363 4.7 66.4 1.0 C C:GLU361 4.7 50.4 1.0 CD C:GLU363 4.7 68.8 1.0 CA C:GLU363 4.8 47.9 1.0 CA C:ALA357 4.8 46.3 1.0 CA C:GLU361 4.9 45.2 1.0 CB C:ALA362 4.9 43.5 1.0 C C:ALA357 5.0 44.2 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (P21212 Form)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (P21212 Form) within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg402 b:37.7 occ:1.00 O D:ALA356 2.2 32.9 1.0 O D:ARG359 2.4 35.9 1.0 O D:HOH646 2.4 49.5 1.0 O D:ALA362 2.4 43.4 1.0 O D:HOH641 2.5 42.5 1.0 C D:ARG359 3.3 36.6 1.0 C D:ALA356 3.3 32.9 1.0 C D:ALA362 3.6 40.2 1.0 N D:ALA362 3.9 43.0 1.0 CA D:ARG359 4.1 34.4 1.0 CA D:ALA356 4.1 35.7 1.0 CB D:ARG359 4.1 34.7 1.0 N D:ARG359 4.1 32.2 1.0 N D:PRO360 4.2 34.1 1.0 N D:GLU361 4.3 39.1 1.0 CA D:PRO360 4.3 32.9 1.0 O D:HOH531 4.3 43.0 1.0 N D:ALA357 4.3 32.6 1.0 CA D:ALA362 4.3 38.6 1.0 CB D:ALA356 4.4 35.9 1.0 C D:PRO360 4.5 40.1 1.0 CA D:ALA357 4.5 41.1 1.0 N D:GLU363 4.7 46.0 1.0 C D:ALA357 4.7 35.8 1.0 O D:ALA357 4.9 42.0 1.0 C D:GLU361 4.9 45.7 1.0 CA D:GLU363 4.9 51.0 1.0 OE2 D:GLU363 5.0 89.9 1.0

L.Liu, S.Lovell, K.P.Battaile, A.Cooper. Crystal Structure of Cystathionine Beta Lyase From Klebsiella Aerogenes (P21212 Form) To Be Published.