Atomistry » Calcium » PDB 4aqi-4ayp » 4aun
Atomistry »
  Calcium »
    PDB 4aqi-4ayp »
      4aun »

Calcium in PDB 4aun: Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum

Enzymatic activity of Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum

All present enzymatic activity of Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum:
1.11.1.6;

Protein crystallography data

The structure of Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum, PDB code: 4aun was solved by Y.Yuzugullu, C.H.Trinh, M.A.Smith, A.R.Pearson, S.E.V.Phillips, D.Sutay Kocabas, U.Bakir, Z.B.Ogel, M.J.Mcpherson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 69.94 / 1.92
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 253.370, 243.290, 97.060, 90.00, 104.16, 90.00
R / Rfree (%) 16.422 / 20.054

Other elements in 4aun:

The structure of Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum also contains other interesting chemical elements:

Iron (Fe) 8 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum (pdb code 4aun). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum, PDB code: 4aun:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Calcium binding site 1 out of 9 in 4aun

Go back to Calcium Binding Sites List in 4aun
Calcium binding site 1 out of 9 in the Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1700

b:19.4
occ:0.50
 O A:HOH2334 2.1 18.2 1.0
O A:HOH2520 2.1 27.4 1.0
O A:HOH2519 2.2 27.6 1.0
O B:HOH2254 2.2 20.6 1.0
O B:HOH2256 2.3 15.9 1.0
O A:HOH2335 2.3 26.8 1.0
O G:GLY378 4.1 14.7 1.0
O A:GLY378 4.2 14.4 1.0
O B:GLY378 4.2 12.5 1.0
O H:GLY378 4.2 14.4 1.0
O B:HOH2255 4.3 16.1 0.5
O G:HOH2289 4.4 18.0 0.5
O H:HOH2222 4.4 27.4 1.0
O G:HOH2290 4.4 23.2 1.0
O H:HOH2223 4.5 20.5 0.5
O A:HOH2336 4.5 27.9 1.0
O B:HOH2257 4.6 25.3 1.0
CA G:GLY378 4.7 12.0 1.0
CA B:GLY378 4.8 11.5 1.0
CA A:GLY378 4.8 12.2 1.0
CA H:GLY378 4.8 11.5 1.0
C G:GLY378 4.8 13.6 1.0
C A:GLY378 4.9 13.2 1.0
C B:GLY378 4.9 11.3 1.0
C H:GLY378 5.0 12.6 1.0

Calcium binding site 2 out of 9 in 4aun

Go back to Calcium Binding Sites List in 4aun
Calcium binding site 2 out of 9 in the Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1701

b:8.9
occ:0.70
 O A:HOH2521 3.1 20.4 1.0
O A:HOH2188 3.1 20.5 1.0
ND1 A:HIS190 3.2 9.9 1.0
N A:SER192 3.3 10.2 1.0
OG A:SER192 3.5 9.8 1.0
CB A:SER192 3.6 9.7 1.0
CD A:ARG178 3.7 11.4 1.0
N A:ASP191 3.7 10.2 1.0
CB A:HIS190 3.8 9.7 1.0
CG A:HIS190 3.9 10.0 1.0
CB A:ARG178 3.9 9.6 1.0
CG A:ARG178 4.0 10.3 1.0
CB A:ASP191 4.1 12.8 1.0
CA A:SER192 4.1 10.4 1.0
CA A:ASP191 4.2 10.6 1.0
C A:ASP191 4.2 10.7 1.0
CE1 A:HIS190 4.2 9.1 1.0
C A:HIS190 4.3 10.8 1.0
O A:HOH2180 4.3 9.5 1.0
CE1 H:TYR412 4.6 12.0 1.0
CA A:HIS190 4.7 10.4 1.0
O A:HOH2202 4.7 29.8 1.0
CA A:ARG178 4.8 9.1 1.0
O A:HIS190 4.9 11.3 1.0
NE A:ARG178 5.0 10.8 1.0
NH1 A:ARG178 5.0 11.9 1.0
N A:ARG178 5.0 9.1 1.0

Calcium binding site 3 out of 9 in 4aun

Go back to Calcium Binding Sites List in 4aun
Calcium binding site 3 out of 9 in the Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1700

b:10.1
occ:0.70
 O B:HOH2420 3.0 24.4 1.0
ND1 B:HIS190 3.0 13.1 1.0
O B:HOH2143 3.2 18.1 1.0
N B:SER192 3.3 13.1 1.0
OG B:SER192 3.5 9.8 1.0
CB B:SER192 3.6 10.1 1.0
N B:ASP191 3.6 12.7 1.0
CB B:HIS190 3.8 12.7 1.0
CD B:ARG178 3.8 12.9 1.0
CG B:HIS190 3.8 13.3 1.0
CB B:ARG178 3.8 11.8 1.0
CG B:ARG178 4.0 12.5 1.0
CE1 B:HIS190 4.1 11.3 1.0
CB B:ASP191 4.1 17.0 1.0
CA B:SER192 4.1 11.9 1.0
CA B:ASP191 4.2 14.8 1.0
C B:ASP191 4.2 14.5 1.0
C B:HIS190 4.3 12.2 1.0
O B:HOH2137 4.5 12.7 1.0
CE1 G:TYR412 4.6 12.9 1.0
CA B:HIS190 4.6 13.0 1.0
CA B:ARG178 4.7 10.9 1.0
O B:HOH2149 4.8 28.1 1.0
N B:ARG178 4.9 10.6 1.0
O B:HOH2148 5.0 33.2 1.0
O B:HIS190 5.0 10.0 1.0
NE B:ARG178 5.0 12.7 1.0

Calcium binding site 4 out of 9 in 4aun

Go back to Calcium Binding Sites List in 4aun
Calcium binding site 4 out of 9 in the Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca1700

b:10.9
occ:0.70
 O C:HOH2470 2.9 21.0 1.0
ND1 C:HIS190 3.1 11.8 1.0
O C:HOH2181 3.2 16.6 1.0
N C:SER192 3.3 11.7 1.0
OG C:SER192 3.4 11.5 1.0
N C:ASP191 3.7 13.2 1.0
CB C:SER192 3.7 11.5 1.0
CD C:ARG178 3.8 13.2 1.0
CB C:HIS190 3.8 12.1 1.0
CG C:HIS190 3.9 11.5 1.0
CB C:ARG178 3.9 11.4 1.0
CB C:ASP191 4.1 15.5 1.0
CG C:ARG178 4.1 12.6 1.0
CA C:SER192 4.1 11.3 1.0
CE1 C:HIS190 4.1 11.5 1.0
CA C:ASP191 4.1 13.4 1.0
C C:ASP191 4.2 12.0 1.0
C C:HIS190 4.2 12.7 1.0
O C:HOH2177 4.4 9.3 1.0
CA C:HIS190 4.6 12.7 1.0
CA C:ARG178 4.8 11.8 1.0
O C:HIS190 4.9 12.2 1.0
NE C:ARG178 5.0 14.9 1.0

Calcium binding site 5 out of 9 in 4aun

Go back to Calcium Binding Sites List in 4aun
Calcium binding site 5 out of 9 in the Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca1700

b:9.9
occ:0.70
 O D:HOH2468 3.0 21.9 1.0
ND1 D:HIS190 3.1 11.2 1.0
O D:HOH2174 3.2 11.7 1.0
N D:SER192 3.3 10.2 1.0
OG D:SER192 3.5 10.3 1.0
CB D:SER192 3.7 10.5 1.0
N D:ASP191 3.7 10.1 1.0
CB D:HIS190 3.8 11.8 1.0
CD D:ARG178 3.8 9.4 1.0
CG D:HIS190 3.8 10.5 1.0
CB D:ARG178 3.9 8.7 1.0
CG D:ARG178 4.0 8.8 1.0
CA D:SER192 4.1 10.3 1.0
CB D:ASP191 4.1 12.8 1.0
CE1 D:HIS190 4.2 9.7 1.0
CA D:ASP191 4.2 11.6 1.0
C D:ASP191 4.2 10.6 1.0
C D:HIS190 4.2 10.8 1.0
O D:HOH2167 4.5 9.7 1.0
CA D:HIS190 4.6 11.0 1.0
CA D:ARG178 4.8 8.6 1.0
O D:HIS190 4.9 10.3 1.0
O D:HOH2185 4.9 29.1 1.0
NE D:ARG178 5.0 10.1 1.0
N D:ARG178 5.0 8.9 1.0

Calcium binding site 6 out of 9 in 4aun

Go back to Calcium Binding Sites List in 4aun
Calcium binding site 6 out of 9 in the Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca1700

b:8.6
occ:0.70
 O E:HOH2341 2.8 18.7 1.0
O E:HOH2115 3.1 15.0 1.0
ND1 E:HIS190 3.2 10.4 1.0
N E:SER192 3.3 10.8 1.0
OG E:SER192 3.5 9.5 1.0
CB E:SER192 3.6 10.0 1.0
CD E:ARG178 3.7 10.0 1.0
N E:ASP191 3.7 10.6 1.0
CB E:HIS190 3.7 11.1 1.0
CG E:HIS190 3.9 11.3 1.0
CG E:ARG178 3.9 9.1 1.0
CB E:ARG178 4.0 8.9 1.0
CA E:SER192 4.1 10.6 1.0
CB E:ASP191 4.2 13.2 1.0
C E:HIS190 4.2 10.9 1.0
CA E:ASP191 4.2 11.1 1.0
C E:ASP191 4.2 10.7 1.0
CE1 E:HIS190 4.3 10.3 1.0
O E:HOH2111 4.5 11.0 1.0
CA E:HIS190 4.6 11.6 1.0
O E:HOH2122 4.8 22.5 1.0
CA E:ARG178 4.8 9.4 1.0
O E:HIS190 4.9 10.8 1.0
NE E:ARG178 4.9 10.3 1.0

Calcium binding site 7 out of 9 in 4aun

Go back to Calcium Binding Sites List in 4aun
Calcium binding site 7 out of 9 in the Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ca1700

b:8.4
occ:0.70
 O F:HOH2381 3.0 21.0 1.0
ND1 F:HIS190 3.1 10.0 1.0
O F:HOH2140 3.1 15.7 1.0
N F:SER192 3.3 9.2 1.0
OG F:SER192 3.4 8.6 1.0
CB F:SER192 3.6 8.7 1.0
CD F:ARG178 3.6 9.7 1.0
N F:ASP191 3.7 9.8 1.0
CB F:HIS190 3.8 9.5 1.0
CG F:HIS190 3.9 9.1 1.0
CG F:ARG178 3.9 8.6 1.0
CB F:ARG178 4.0 8.4 1.0
CB F:ASP191 4.0 11.8 1.0
CA F:SER192 4.0 9.0 1.0
CE1 F:HIS190 4.1 9.2 1.0
CA F:ASP191 4.2 10.3 1.0
C F:ASP191 4.2 9.7 1.0
C F:HIS190 4.2 9.6 1.0
O F:HOH2133 4.4 9.9 1.0
CA F:HIS190 4.6 9.4 1.0
CA F:ARG178 4.8 7.9 1.0
O F:HOH2148 4.8 26.0 1.0
NE F:ARG178 4.9 10.0 1.0
O F:HIS190 4.9 9.2 1.0

Calcium binding site 8 out of 9 in 4aun

Go back to Calcium Binding Sites List in 4aun
Calcium binding site 8 out of 9 in the Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ca1700

b:12.2
occ:0.70
 O G:HOH2454 2.9 26.4 1.0
O B:HOH2300 3.1 19.0 1.0
ND1 G:HIS190 3.1 12.2 1.0
N G:SER192 3.3 12.4 1.0
OG G:SER192 3.5 12.0 1.0
CB G:SER192 3.6 13.1 1.0
CD G:ARG178 3.7 14.1 1.0
N G:ASP191 3.7 13.1 1.0
CB G:HIS190 3.8 12.5 1.0
CG G:HIS190 3.9 12.1 1.0
CG G:ARG178 3.9 12.1 1.0
CB G:ARG178 4.0 11.5 1.0
CA G:SER192 4.0 12.7 1.0
CB G:ASP191 4.1 15.0 1.0
CA G:ASP191 4.2 13.9 1.0
CE1 G:HIS190 4.2 12.1 1.0
C G:ASP191 4.2 13.3 1.0
C G:HIS190 4.3 13.5 1.0
O G:HOH2155 4.4 15.5 1.0
CE1 B:TYR412 4.6 12.6 1.0
CA G:HIS190 4.6 13.0 1.0
CA G:ARG178 4.8 11.1 1.0
O G:HOH2171 4.8 26.4 1.0
NE G:ARG178 4.9 13.2 1.0
O G:HOH2170 5.0 22.6 1.0
O G:HIS190 5.0 11.8 1.0

Calcium binding site 9 out of 9 in 4aun

Go back to Calcium Binding Sites List in 4aun
Calcium binding site 9 out of 9 in the Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Crystal Structure, Recombinant Expression and Mutagenesis Studies of the Bifunctional Catalase-Phenol Oxidase From Scytalidium Thermophilum within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ca1700

b:7.3
occ:0.70
 O H:HOH2350 3.0 15.9 1.0
O A:HOH2378 3.1 13.8 1.0
ND1 H:HIS190 3.2 10.2 1.0
N H:SER192 3.2 10.2 1.0
OG H:SER192 3.5 11.7 1.0
CB H:SER192 3.6 10.4 1.0
CD H:ARG178 3.7 10.7 1.0
N H:ASP191 3.7 10.5 1.0
CB H:HIS190 3.8 10.3 1.0
CB H:ARG178 3.9 9.2 1.0
CG H:HIS190 3.9 9.8 1.0
CG H:ARG178 3.9 9.9 1.0
CA H:SER192 4.0 10.8 1.0
CB H:ASP191 4.1 12.9 1.0
CA H:ASP191 4.2 11.6 1.0
C H:ASP191 4.2 10.7 1.0
C H:HIS190 4.2 11.1 1.0
CE1 H:HIS190 4.3 9.4 1.0
O H:HOH2107 4.4 7.5 1.0
CE1 A:TYR412 4.6 9.8 1.0
CA H:HIS190 4.6 10.0 1.0
CA H:ARG178 4.8 9.4 1.0
O H:HIS190 4.9 10.6 1.0
O H:HOH2117 4.9 21.1 1.0
NE H:ARG178 5.0 10.3 1.0
N H:ARG178 5.0 9.4 1.0

Reference:

Y.Yuzugullu, C.H.Trinh, M.A.Smith, A.R.Pearson, S.E.V.Phillips, D.Sutay Kocabas, U.Bakir, Z.B.Ogel, M.J.Mcpherson. Structure, Recombinant Expression and Mutagenesis Studies of the Catalase with Oxidase Activity From Scytalidium Thermophilum Acta Crystallogr.,Sect.D V. 69 398 2013.
ISSN: ISSN 0907-4449
PubMed: 23519415
DOI: 10.1107/S0907444912049001
Page generated: Sat Jul 13 22:19:14 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy