Atomistry » Cobalt » PDB 5vtd-5zt2 » 5w3w
Atomistry »
  Cobalt »
    PDB 5vtd-5zt2 »
      5w3w »

Cobalt in PDB 5w3w: Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form

Enzymatic activity of Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form

All present enzymatic activity of Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form:
3.1.8.1;

Protein crystallography data

The structure of Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form, PDB code: 5w3w was solved by J.Hiblot, G.Gotthard, P.Jacquet, D.Daude, C.Bergonzi, E.Chabriere, M.Elias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.67 / 2.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 82.340, 105.010, 153.150, 90.00, 90.00, 90.00
R / Rfree (%) 22.9 / 28.8

Other elements in 5w3w:

The structure of Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Cobalt Binding Sites:

The binding sites of Cobalt atom in the Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form (pdb code 5w3w). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 4 binding sites of Cobalt where determined in the Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form, PDB code: 5w3w:
Jump to Cobalt binding site number: 1; 2; 3; 4;

Cobalt binding site 1 out of 4 in 5w3w

Go back to Cobalt Binding Sites List in 5w3w
Cobalt binding site 1 out of 4 in the Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co402

b:13.8
occ:1.00
 OQ1 A:KCX137 1.9 47.0 1.0
NE2 A:HIS199 2.0 56.5 1.0
ND1 A:HIS170 2.1 52.0 1.0
O A:HOH508 2.5 18.3 1.0
CX A:KCX137 2.8 49.5 1.0
CE1 A:HIS199 2.8 50.8 1.0
CD2 A:HIS199 3.0 58.5 1.0
CE1 A:HIS170 3.1 55.5 1.0
CG A:HIS170 3.1 53.5 1.0
OQ2 A:KCX137 3.1 46.5 1.0
FE A:FE401 3.2 13.8 1.0
CB A:HIS170 3.4 54.8 1.0
NH2 A:ARG223 3.7 54.5 1.0
OD2 A:ASP256 3.8 51.8 1.0
ND1 A:HIS199 4.0 50.7 1.0
NE2 A:HIS22 4.0 57.2 1.0
NZ A:KCX137 4.0 53.3 1.0
CE1 A:HIS22 4.1 55.4 1.0
CG A:HIS199 4.1 56.5 1.0
NE2 A:HIS170 4.2 55.1 1.0
CD2 A:HIS170 4.2 53.8 1.0
NE1 A:TRP97 4.3 58.7 1.0
CA A:HIS170 4.3 58.7 1.0
OD1 A:ASP256 4.5 55.4 1.0
CG A:ASP256 4.6 53.3 1.0
CE A:KCX137 4.6 53.5 1.0
CZ A:ARG223 4.6 59.1 1.0
NE A:ARG223 4.8 61.1 1.0

Cobalt binding site 2 out of 4 in 5w3w

Go back to Cobalt Binding Sites List in 5w3w
Cobalt binding site 2 out of 4 in the Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co402

b:49.3
occ:1.00
 OQ2 B:KCX137 1.9 70.5 1.0
ND1 B:HIS170 2.0 93.6 1.0
NE2 B:HIS199 2.0 87.9 1.0
O B:HOH503 2.0 37.3 1.0
CE1 B:HIS170 2.9 99.0 1.0
CE1 B:HIS199 2.9 85.9 1.0
CD2 B:HIS199 3.0 88.6 1.0
CX B:KCX137 3.1 62.6 1.0
CG B:HIS170 3.1 92.4 1.0
FE B:FE401 3.3 44.6 1.0
OQ1 B:KCX137 3.4 59.2 1.0
CB B:HIS170 3.5 88.2 1.0
NH2 B:ARG223 3.6 0.0 1.0
OD2 B:ASP256 3.9 95.4 1.0
ND1 B:HIS199 4.0 86.0 1.0
NE2 B:HIS170 4.0 96.3 1.0
NE2 B:HIS22 4.1 79.9 1.0
CG B:HIS199 4.1 89.0 1.0
CE1 B:HIS22 4.1 73.8 1.0
CD2 B:HIS170 4.1 96.1 1.0
NZ B:KCX137 4.2 59.5 1.0
NE1 B:TRP97 4.2 90.8 1.0
OD1 B:ASP256 4.4 92.8 1.0
CA B:HIS170 4.4 90.8 1.0
CZ B:ARG223 4.4 0.3 1.0
CG B:ASP256 4.5 98.3 1.0
NE B:ARG223 4.7 0.8 1.0
CE B:KCX137 4.7 57.5 1.0
CZ2 B:TRP97 4.8 94.1 1.0
CE2 B:TRP97 4.9 90.0 1.0

Cobalt binding site 3 out of 4 in 5w3w

Go back to Cobalt Binding Sites List in 5w3w
Cobalt binding site 3 out of 4 in the Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Co402

b:66.5
occ:1.00
 OQ1 C:KCX137 1.9 0.9 1.0
NE2 C:HIS199 1.9 0.3 1.0
O C:HOH502 2.0 53.7 1.0
ND1 C:HIS170 2.1 0.6 1.0
CE1 C:HIS199 2.8 0.4 1.0
CX C:KCX137 2.8 0.6 1.0
CD2 C:HIS199 2.9 1.0 1.0
CG C:HIS170 3.0 0.9 1.0
CE1 C:HIS170 3.1 0.0 1.0
OQ2 C:KCX137 3.1 95.6 1.0
CB C:HIS170 3.3 0.5 1.0
FE C:FE401 3.4 50.8 1.0
NH2 C:ARG223 3.8 0.8 1.0
ND1 C:HIS199 3.9 0.0 1.0
CG C:HIS199 4.0 0.1 1.0
NZ C:KCX137 4.0 0.6 1.0
NE2 C:HIS22 4.0 0.6 1.0
CE1 C:HIS22 4.1 0.9 1.0
NE2 C:HIS170 4.2 0.3 1.0
CD2 C:HIS170 4.2 0.7 1.0
CA C:HIS170 4.2 0.5 1.0
OD2 C:ASP256 4.4 0.2 1.0
OD1 C:ASP256 4.5 0.3 1.0
NE1 C:TRP97 4.5 93.8 1.0
CE C:KCX137 4.5 0.7 1.0
CZ C:ARG223 4.7 0.1 1.0
CZ2 C:TRP97 4.7 93.1 1.0
CG C:ASP256 4.7 0.1 1.0
NE C:ARG223 4.9 0.2 1.0
CE2 C:TRP97 5.0 91.8 1.0

Cobalt binding site 4 out of 4 in 5w3w

Go back to Cobalt Binding Sites List in 5w3w
Cobalt binding site 4 out of 4 in the Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of Crystal Structure of Ssopox ASD6 Mutant (V27A-Y97W-L228M-W263M) - Open Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Co402

b:28.3
occ:1.00
 O D:HOH503 1.9 23.5 1.0
OQ2 D:KCX137 1.9 52.1 1.0
NE2 D:HIS199 1.9 66.5 1.0
ND1 D:HIS170 2.0 63.7 1.0
CE1 D:HIS199 2.8 68.3 1.0
CD2 D:HIS199 2.9 67.7 1.0
CE1 D:HIS170 2.9 64.2 1.0
CX D:KCX137 2.9 47.6 1.0
CG D:HIS170 3.1 56.6 1.0
OQ1 D:KCX137 3.2 45.0 1.0
FE D:FE401 3.4 19.7 1.0
CB D:HIS170 3.5 54.1 1.0
NH2 D:ARG223 3.6 76.9 1.0
OD2 D:ASP256 3.9 69.2 1.0
ND1 D:HIS199 3.9 70.7 1.0
CG D:HIS199 4.0 67.9 1.0
NE2 D:HIS170 4.0 57.9 1.0
NE2 D:HIS22 4.1 53.1 1.0
CE1 D:HIS22 4.1 52.9 1.0
CD2 D:HIS170 4.1 55.4 1.0
NZ D:KCX137 4.1 46.2 1.0
CA D:HIS170 4.3 53.3 1.0
CZ D:ARG223 4.4 79.2 1.0
NE1 D:TRP97 4.5 65.6 1.0
OD1 D:ASP256 4.5 67.8 1.0
O3 D:GOL407 4.5 58.4 1.0
CG D:ASP256 4.5 71.1 1.0
CE D:KCX137 4.6 48.5 1.0
O2 D:GOL407 4.7 65.7 1.0
NE D:ARG223 4.7 79.2 1.0

Reference:

P.Jacquet, J.Hiblot, D.Daude, C.Bergonzi, G.Gotthard, N.Armstrong, E.Chabriere, M.Elias. Rational Engineering of A Native Hyperthermostable Lactonase Into A Broad Spectrum Phosphotriesterase. Sci Rep V. 7 16745 2017.
ISSN: ESSN 2045-2322
PubMed: 29196634
DOI: 10.1038/S41598-017-16841-0
Page generated: Tue Jul 30 18:18:07 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy