Atomistry » Arsenic » PDB 3n67-3smt » 3s2s
Atomistry »
  Arsenic »
    PDB 3n67-3smt »
      3s2s »

Arsenic in PDB 3s2s: The Crystal Structure of Pyrazinamidase/Nicotinamidase From Streptococcus Mutans UA159

Enzymatic activity of The Crystal Structure of Pyrazinamidase/Nicotinamidase From Streptococcus Mutans UA159

All present enzymatic activity of The Crystal Structure of Pyrazinamidase/Nicotinamidase From Streptococcus Mutans UA159:
3.5.1.19;

Protein crystallography data

The structure of The Crystal Structure of Pyrazinamidase/Nicotinamidase From Streptococcus Mutans UA159, PDB code: 3s2s was solved by X.-D.Su, X.Liu, H.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.98 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 76.490, 80.120, 130.960, 90.00, 90.00, 90.00
R / Rfree (%) 16 / 19.1

Other elements in 3s2s:

The structure of The Crystal Structure of Pyrazinamidase/Nicotinamidase From Streptococcus Mutans UA159 also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the The Crystal Structure of Pyrazinamidase/Nicotinamidase From Streptococcus Mutans UA159 (pdb code 3s2s). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 4 binding sites of Arsenic where determined in the The Crystal Structure of Pyrazinamidase/Nicotinamidase From Streptococcus Mutans UA159, PDB code: 3s2s:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in 3s2s

Go back to Arsenic Binding Sites List in 3s2s
Arsenic binding site 1 out of 4 in the The Crystal Structure of Pyrazinamidase/Nicotinamidase From Streptococcus Mutans UA159


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of The Crystal Structure of Pyrazinamidase/Nicotinamidase From Streptococcus Mutans UA159 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As185

b:24.6
occ:0.80
 AS A:CAD185 0.0 24.6 0.8
O1 A:CAD185 1.6 32.6 1.0
C1 A:CAD185 1.9 19.9 1.0
C2 A:CAD185 2.0 26.5 1.0
SG A:CYS136 2.3 20.9 1.0
CB A:CYS136 3.2 14.7 1.0
N A:CYS136 3.6 16.5 1.0
N A:LEU132 3.8 18.3 1.0
OD2 A:ASP9 3.9 29.6 1.0
O A:VAL131 4.0 17.5 1.0
CA A:CYS136 4.0 17.1 1.0
CG2 A:ILE135 4.1 22.8 1.0
CB A:ILE135 4.2 17.9 1.0
O A:HOH401 4.3 35.8 1.0
C A:VAL131 4.3 17.2 1.0
CE1 A:PHE14 4.4 30.7 1.0
CZ A:PHE14 4.5 23.7 1.0
CG A:LEU132 4.6 32.3 1.0
CB A:LEU132 4.7 25.3 1.0
C A:ILE135 4.7 16.9 1.0
CD1 A:TYR106 4.8 20.4 1.0
CA A:LEU132 4.8 20.0 1.0
CG A:ASP9 4.8 25.3 1.0
CD1 A:PHE14 5.0 31.8 1.0

Arsenic binding site 2 out of 4 in 3s2s

Go back to Arsenic Binding Sites List in 3s2s
Arsenic binding site 2 out of 4 in the The Crystal Structure of Pyrazinamidase/Nicotinamidase From Streptococcus Mutans UA159


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of The Crystal Structure of Pyrazinamidase/Nicotinamidase From Streptococcus Mutans UA159 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As185

b:25.0
occ:0.80
 AS B:CAD185 0.0 25.0 0.8
O1 B:CAD185 1.6 36.7 1.0
C2 B:CAD185 1.9 23.3 1.0
C1 B:CAD185 2.0 19.1 1.0
SG B:CYS136 2.3 22.5 1.0
CB B:CYS136 3.2 20.1 1.0
N B:CYS136 3.7 17.9 1.0
O B:HOH306 3.7 29.8 1.0
N B:LEU132 3.8 21.6 1.0
OD2 B:ASP9 3.8 30.4 1.0
O B:VAL131 3.9 22.0 1.0
CA B:CYS136 4.0 19.7 1.0
CG2 B:ILE135 4.2 21.5 1.0
C B:VAL131 4.3 22.4 1.0
CB B:ILE135 4.3 20.8 1.0
CZ B:PHE14 4.5 30.2 1.0
CD1 B:TYR106 4.5 19.0 1.0
CG B:LEU132 4.6 32.2 1.0
CE1 B:PHE14 4.7 35.0 1.0
CD1 B:LEU132 4.7 34.3 1.0
CB B:LEU132 4.7 27.2 1.0
C B:ILE135 4.8 17.9 1.0
CG B:ASP9 4.8 27.1 1.0
CE2 B:PHE14 4.9 30.2 1.0
CA B:LEU132 4.9 22.4 1.0
CB B:ASP9 5.0 19.9 1.0

Arsenic binding site 3 out of 4 in 3s2s

Go back to Arsenic Binding Sites List in 3s2s
Arsenic binding site 3 out of 4 in the The Crystal Structure of Pyrazinamidase/Nicotinamidase From Streptococcus Mutans UA159


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of The Crystal Structure of Pyrazinamidase/Nicotinamidase From Streptococcus Mutans UA159 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:As185

b:23.7
occ:0.80
 AS C:CAD185 0.0 23.7 0.8
O1 C:CAD185 1.7 32.2 1.0
C1 C:CAD185 1.9 26.3 1.0
C2 C:CAD185 2.0 16.4 1.0
SG C:CYS136 2.3 22.5 1.0
CB C:CYS136 3.3 20.6 1.0
N C:CYS136 3.7 19.6 1.0
O C:HOH430 3.7 30.6 1.0
N C:LEU132 3.8 21.6 1.0
OD2 C:ASP9 3.9 29.0 1.0
O C:VAL131 4.0 21.0 1.0
CA C:CYS136 4.1 18.9 1.0
CG2 C:ILE135 4.2 21.8 1.0
CB C:ILE135 4.3 20.7 1.0
C C:VAL131 4.3 22.4 1.0
CZ C:PHE14 4.5 27.6 1.0
CD1 C:TYR106 4.6 19.8 1.0
CG C:LEU132 4.6 25.6 1.0
CE1 C:PHE14 4.6 31.7 1.0
CB C:LEU132 4.7 20.8 1.0
C C:ILE135 4.8 20.5 1.0
CG C:ASP9 4.8 27.7 1.0
CA C:LEU132 4.9 21.3 1.0
CE2 C:PHE14 4.9 24.6 1.0
CD1 C:LEU132 4.9 32.1 1.0
CB C:ASP9 5.0 20.0 1.0

Arsenic binding site 4 out of 4 in 3s2s

Go back to Arsenic Binding Sites List in 3s2s
Arsenic binding site 4 out of 4 in the The Crystal Structure of Pyrazinamidase/Nicotinamidase From Streptococcus Mutans UA159


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of The Crystal Structure of Pyrazinamidase/Nicotinamidase From Streptococcus Mutans UA159 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:As185

b:23.8
occ:0.80
 AS D:CAD185 0.0 23.8 0.8
O1 D:CAD185 1.6 38.1 1.0
C2 D:CAD185 1.9 17.8 1.0
C1 D:CAD185 2.0 28.1 1.0
SG D:CYS136 2.3 23.5 1.0
CB D:CYS136 3.2 22.4 1.0
N D:CYS136 3.6 16.6 1.0
O D:HOH315 3.8 29.6 1.0
N D:LEU132 3.8 23.4 1.0
O D:VAL131 3.9 23.1 1.0
OD2 D:ASP9 3.9 27.1 1.0
CA D:CYS136 4.0 17.9 1.0
CG2 D:ILE135 4.1 21.8 1.0
C D:VAL131 4.3 23.2 1.0
CB D:ILE135 4.3 22.1 1.0
CD1 D:TYR106 4.5 19.5 1.0
CZ D:PHE14 4.5 30.3 1.0
CG D:LEU132 4.7 27.1 1.0
CE2 D:PHE14 4.7 28.5 1.0
C D:ILE135 4.8 18.5 1.0
CD1 D:LEU132 4.8 32.2 1.0
CB D:LEU132 4.8 26.4 1.0
CG D:ASP9 4.9 26.8 1.0
CE1 D:PHE14 4.9 29.4 1.0
CA D:LEU132 4.9 21.9 1.0
CB D:ASP9 5.0 23.6 1.0

Reference:

X.Liu, H.Zhang, X.J.Wang, L.F.Li, X.-D.Su. Get Phases From Arsenic Anomalous Scattering: De Novo Sad Phasing of Two Protein Structures Crystallized in Cacodylate Buffer Plos One V. 6 24227 2011.
ISSN: ESSN 1932-6203
PubMed: 21912678
DOI: 10.1371/JOURNAL.PONE.0024227
Page generated: Sat Dec 12 01:41:57 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy