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Arsenic in PDB 4wxb: Crystal Structure of Serine Hydroxymethyltransferase From Streptococcus Thermophilus

Enzymatic activity of Crystal Structure of Serine Hydroxymethyltransferase From Streptococcus Thermophilus

All present enzymatic activity of Crystal Structure of Serine Hydroxymethyltransferase From Streptococcus Thermophilus:
2.1.2.1;

Protein crystallography data

The structure of Crystal Structure of Serine Hydroxymethyltransferase From Streptococcus Thermophilus, PDB code: 4wxb was solved by K.Hernandez, I.Zelen, G.Petrillo, I.Uson, C.Wandtke, J.Bujons, J.Joglar, T.Parella, P.Clapes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 66.54 / 2.05
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 202.104, 113.431, 133.388, 90.00, 93.85, 90.00
R / Rfree (%) 19.1 / 22.1

Other elements in 4wxb:

The structure of Crystal Structure of Serine Hydroxymethyltransferase From Streptococcus Thermophilus also contains other interesting chemical elements:

Sodium (Na) 3 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Crystal Structure of Serine Hydroxymethyltransferase From Streptococcus Thermophilus (pdb code 4wxb). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 4 binding sites of Arsenic where determined in the Crystal Structure of Serine Hydroxymethyltransferase From Streptococcus Thermophilus, PDB code: 4wxb:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in 4wxb

Go back to Arsenic Binding Sites List in 4wxb
Arsenic binding site 1 out of 4 in the Crystal Structure of Serine Hydroxymethyltransferase From Streptococcus Thermophilus


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Serine Hydroxymethyltransferase From Streptococcus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As502

b:74.5
occ:0.50
 AS A:CAC502 0.0 74.5 0.5
O2 A:CAC502 1.7 39.0 0.5
O1 A:CAC502 1.7 55.4 0.5
C1 A:CAC502 2.0 63.8 0.5
C2 A:CAC502 2.0 57.3 0.5
OH C:TYR59 3.8 80.5 1.0
OG A:SER29 3.8 31.2 1.0
CB A:SER29 4.0 30.6 1.0
NH2 A:ARG357 4.2 24.9 1.0
NE2 A:HIS198 4.3 37.6 1.0
NZ A:LYS224 4.5 39.6 1.0
NH1 A:ARG357 4.5 31.9 1.0
CE1 C:TYR49 4.6 34.0 1.0
CZ A:ARG357 4.9 27.2 1.0
O1 A:CIT501 4.9 30.6 0.8
CD1 A:LEU121 5.0 0.5 1.0
CE1 A:HIS198 5.0 40.1 1.0

Arsenic binding site 2 out of 4 in 4wxb

Go back to Arsenic Binding Sites List in 4wxb
Arsenic binding site 2 out of 4 in the Crystal Structure of Serine Hydroxymethyltransferase From Streptococcus Thermophilus


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of Serine Hydroxymethyltransferase From Streptococcus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As502

b:51.9
occ:0.34
 AS B:CAC502 0.0 51.9 0.3
O1 B:CAC502 1.7 43.2 0.3
O2 B:CAC502 1.8 39.5 0.3
C1 B:CAC502 2.0 45.8 0.3
C2 B:CAC502 2.0 43.0 0.3
OG B:SER29 3.6 38.5 1.0
OH D:TYR59 3.7 79.0 1.0
NE2 B:HIS198 3.9 39.5 1.0
NH2 B:ARG357 4.0 43.2 1.0
CB B:SER29 4.0 34.0 1.0
NH1 B:ARG357 4.1 40.9 1.0
NZ B:LYS224 4.2 42.8 1.0
CE1 B:HIS198 4.5 38.1 1.0
CZ B:ARG357 4.5 38.0 1.0
CB B:SER170 4.7 38.5 1.0

Arsenic binding site 3 out of 4 in 4wxb

Go back to Arsenic Binding Sites List in 4wxb
Arsenic binding site 3 out of 4 in the Crystal Structure of Serine Hydroxymethyltransferase From Streptococcus Thermophilus


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Crystal Structure of Serine Hydroxymethyltransferase From Streptococcus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:As502

b:51.7
occ:0.33
 AS C:CAC502 0.0 51.7 0.3
O2 C:CAC502 1.7 29.4 0.3
O1 C:CAC502 1.7 36.5 0.3
C2 C:CAC502 2.0 37.5 0.3
C1 C:CAC502 2.0 42.5 0.3
OH A:TYR59 3.4 90.0 1.0
OG C:SER29 3.9 34.5 1.0
CB C:SER29 4.1 29.0 1.0
NH2 C:ARG357 4.2 38.6 1.0
NZ C:LYS224 4.4 36.7 1.0
NE2 C:HIS198 4.4 35.9 1.0
NH1 C:ARG357 4.5 40.3 1.0
CE1 A:TYR49 4.7 33.8 1.0
O C:HOH723 4.8 52.0 1.0
CZ A:TYR59 4.8 92.4 1.0
CZ C:ARG357 4.8 35.9 1.0
CE1 C:HIS198 4.9 31.2 1.0

Arsenic binding site 4 out of 4 in 4wxb

Go back to Arsenic Binding Sites List in 4wxb
Arsenic binding site 4 out of 4 in the Crystal Structure of Serine Hydroxymethyltransferase From Streptococcus Thermophilus


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Crystal Structure of Serine Hydroxymethyltransferase From Streptococcus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
D:As502

b:60.8
occ:0.46
 AS D:CAC502 0.0 60.8 0.5
O2 D:CAC502 1.7 50.3 0.5
O1 D:CAC502 1.7 51.3 0.5
C2 D:CAC502 2.0 50.7 0.5
C1 D:CAC502 2.0 52.8 0.5
NZ D:LYS224 3.9 45.3 1.0
NE2 D:HIS198 3.9 49.8 1.0
OG D:SER29 4.0 43.9 1.0
CB D:SER29 4.2 41.9 1.0
NH1 D:ARG357 4.3 41.9 1.0
NH2 D:ARG357 4.5 45.7 1.0
O2 D:CIT501 4.7 28.0 0.6
CE1 D:HIS198 4.7 53.1 1.0
CB D:SER170 4.8 35.5 1.0
OH B:TYR59 4.9 0.2 1.0
CZ D:ARG357 4.9 43.1 1.0
CD2 D:HIS198 5.0 47.2 1.0

Reference:

K.Hernandez, I.Zelen, G.Petrillo, I.Uson, C.M.Wandtke, J.Bujons, J.Joglar, T.Parella, P.Clapes. Engineered L-Serine Hydroxymethyltransferase From Streptococcus Thermophilus For the Synthesis of Alpha , Alpha-Dialkyl-Alpha-Amino Acids. Angew.Chem.Int.Ed.Engl. 2015.
ISSN: ESSN 1521-3773
PubMed: 25611820
DOI: 10.1002/ANIE.201411484
Page generated: Wed Jul 10 12:38:14 2024

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