Atomistry » Arsenic » PDB 2xod-3g2f » 3a6f
Atomistry »
  Arsenic »
    PDB 2xod-3g2f »
      3a6f »

Arsenic in PDB 3a6f: W174F Mutant Creatininase, Type II

Enzymatic activity of W174F Mutant Creatininase, Type II

All present enzymatic activity of W174F Mutant Creatininase, Type II:
3.5.2.10;

Protein crystallography data

The structure of W174F Mutant Creatininase, Type II, PDB code: 3a6f was solved by Y.Nakajima, K.Yamashita, K.Ito, T.Yoshimoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.78
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 164.300, 164.300, 163.900, 90.00, 90.00, 120.00
R / Rfree (%) 23.5 / 25.7

Other elements in 3a6f:

The structure of W174F Mutant Creatininase, Type II also contains other interesting chemical elements:

Manganese (Mn) 6 atoms
Zinc (Zn) 6 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the W174F Mutant Creatininase, Type II (pdb code 3a6f). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 6 binding sites of Arsenic where determined in the W174F Mutant Creatininase, Type II, PDB code: 3a6f:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6;

Arsenic binding site 1 out of 6 in 3a6f

Go back to Arsenic Binding Sites List in 3a6f
Arsenic binding site 1 out of 6 in the W174F Mutant Creatininase, Type II


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of W174F Mutant Creatininase, Type II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As303

b:40.5
occ:1.00
 AS A:CAC303 0.0 40.5 1.0
O1 A:CAC303 1.7 39.4 1.0
O2 A:CAC303 1.7 40.9 1.0
C1 A:CAC303 2.0 38.5 1.0
C2 A:CAC303 2.0 38.1 1.0
MN A:MN300 3.1 34.8 1.0
ZN A:ZN301 3.4 27.9 1.0
O A:HOH1001 3.4 21.6 1.0
OE1 A:GLU183 3.9 22.9 1.0
N A:TYR121 4.1 23.4 1.0
OD1 A:ASP45 4.2 24.3 1.0
OD2 A:ASP45 4.2 19.4 1.0
O A:GLY119 4.2 21.8 1.0
ND1 A:HIS178 4.3 25.3 1.0
CB A:TYR121 4.5 27.7 1.0
CG A:ASP45 4.5 19.8 1.0
CD A:GLU183 4.6 24.2 1.0
CA A:HIS120 4.6 22.7 1.0
OE2 A:GLU183 4.7 24.3 1.0
O A:GLU177 4.8 36.9 1.0
OE1 A:GLU34 4.8 23.1 1.0
O A:SER78 4.8 27.2 1.0
ND1 A:HIS120 4.8 22.1 1.0
C A:HIS120 4.9 23.2 1.0
CZ3 A:TRP154 4.9 30.7 1.0
CH2 A:TRP154 4.9 31.4 1.0
CA A:TYR121 4.9 24.3 1.0

Arsenic binding site 2 out of 6 in 3a6f

Go back to Arsenic Binding Sites List in 3a6f
Arsenic binding site 2 out of 6 in the W174F Mutant Creatininase, Type II


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of W174F Mutant Creatininase, Type II within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As303

b:35.7
occ:1.00
 AS B:CAC303 0.0 35.7 1.0
O1 B:CAC303 1.7 30.5 1.0
O2 B:CAC303 1.8 30.8 1.0
C1 B:CAC303 2.0 33.8 1.0
C2 B:CAC303 2.0 35.5 1.0
MN B:MN300 3.1 39.6 1.0
ZN B:ZN301 3.3 26.1 1.0
O B:HOH1002 3.4 22.6 1.0
OD1 B:ASP45 4.1 14.6 1.0
N B:TYR121 4.2 22.3 1.0
O B:GLY119 4.2 21.9 1.0
OD2 B:ASP45 4.2 22.6 1.0
ND1 B:HIS178 4.2 20.4 1.0
OE2 B:GLU183 4.3 24.6 1.0
OE1 B:GLU183 4.3 25.2 1.0
CD B:GLU183 4.4 22.1 1.0
CG B:ASP45 4.5 19.0 1.0
CB B:TYR121 4.5 24.6 1.0
O B:GLU177 4.6 32.5 1.0
CA B:HIS120 4.6 22.6 1.0
O B:SER78 4.6 23.5 1.0
OE2 B:GLU34 4.8 17.8 1.0
ND1 B:HIS120 4.9 19.6 1.0
O B:HOH1537 4.9 47.5 1.0
CH2 B:TRP154 4.9 27.8 1.0
C B:HIS120 5.0 22.3 1.0
CZ3 B:TRP154 5.0 28.8 1.0
O B:HOH1100 5.0 22.6 1.0
O B:HOH1674 5.0 37.3 1.0

Arsenic binding site 3 out of 6 in 3a6f

Go back to Arsenic Binding Sites List in 3a6f
Arsenic binding site 3 out of 6 in the W174F Mutant Creatininase, Type II


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of W174F Mutant Creatininase, Type II within 5.0Å range:
probe atom residue distance (Å) B Occ
C:As303

b:37.5
occ:1.00
 AS C:CAC303 0.0 37.5 1.0
O2 C:CAC303 1.7 37.3 1.0
O1 C:CAC303 1.7 40.0 1.0
C1 C:CAC303 2.0 35.4 1.0
C2 C:CAC303 2.0 38.0 1.0
MN C:MN300 3.1 31.9 1.0
O C:HOH1003 3.4 16.0 1.0
ZN C:ZN301 3.4 25.3 1.0
OE2 C:GLU183 3.9 18.4 1.0
N C:TYR121 4.1 22.3 1.0
O C:GLY119 4.3 19.9 1.0
OD2 C:ASP45 4.3 15.6 1.0
ND1 C:HIS178 4.3 20.7 1.0
OD1 C:ASP45 4.3 18.9 1.0
CD C:GLU183 4.4 19.9 1.0
CB C:TYR121 4.5 25.9 1.0
CA C:HIS120 4.5 21.9 1.0
OE1 C:GLU183 4.6 19.1 1.0
CG C:ASP45 4.6 19.5 1.0
O C:GLU177 4.7 33.9 1.0
O C:SER78 4.7 26.4 1.0
OE1 C:GLU34 4.8 25.6 1.0
ND1 C:HIS120 4.8 22.5 1.0
CH2 C:TRP154 4.9 30.0 1.0
C C:HIS120 4.9 22.9 1.0
CZ3 C:TRP154 4.9 29.8 1.0
O C:HOH1678 4.9 55.5 1.0
CA C:TYR121 5.0 22.8 1.0
OE1 C:GLU122 5.0 22.4 1.0

Arsenic binding site 4 out of 6 in 3a6f

Go back to Arsenic Binding Sites List in 3a6f
Arsenic binding site 4 out of 6 in the W174F Mutant Creatininase, Type II


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of W174F Mutant Creatininase, Type II within 5.0Å range:
probe atom residue distance (Å) B Occ
D:As303

b:36.7
occ:1.00
 AS D:CAC303 0.0 36.7 1.0
O2 D:CAC303 1.7 32.1 1.0
O1 D:CAC303 1.8 34.5 1.0
C1 D:CAC303 2.0 35.1 1.0
C2 D:CAC303 2.0 33.1 1.0
MN D:MN300 3.1 40.0 1.0
ZN D:ZN301 3.3 26.7 1.0
O D:HOH1004 3.3 23.0 1.0
ND1 D:HIS178 4.0 22.3 1.0
OD1 D:ASP45 4.1 17.5 1.0
N D:TYR121 4.1 20.6 1.0
O D:GLY119 4.2 19.1 1.0
OE1 D:GLU183 4.3 22.4 1.0
OD2 D:ASP45 4.4 24.1 1.0
OE2 D:GLU183 4.4 22.8 1.0
CB D:TYR121 4.5 24.6 1.0
O D:GLU177 4.5 35.0 1.0
CD D:GLU183 4.5 23.2 1.0
CG D:ASP45 4.6 21.5 1.0
CA D:HIS120 4.6 20.8 1.0
O D:HOH1579 4.8 45.0 1.0
O D:SER78 4.8 23.4 1.0
CE1 D:HIS178 4.8 23.1 1.0
ND1 D:HIS120 4.8 18.9 1.0
OE2 D:GLU34 4.9 20.5 1.0
CH2 D:TRP154 4.9 27.1 1.0
CZ3 D:TRP154 4.9 27.4 1.0
C D:HIS120 4.9 20.0 1.0
O D:HOH1149 4.9 25.7 1.0
CA D:TYR121 5.0 22.5 1.0

Arsenic binding site 5 out of 6 in 3a6f

Go back to Arsenic Binding Sites List in 3a6f
Arsenic binding site 5 out of 6 in the W174F Mutant Creatininase, Type II


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of W174F Mutant Creatininase, Type II within 5.0Å range:
probe atom residue distance (Å) B Occ
E:As303

b:36.3
occ:1.00
 AS E:CAC303 0.0 36.3 1.0
O2 E:CAC303 1.7 34.6 1.0
O1 E:CAC303 1.7 37.4 1.0
C1 E:CAC303 2.0 34.2 1.0
C2 E:CAC303 2.0 34.9 1.0
MN E:MN300 3.1 33.8 1.0
ZN E:ZN301 3.4 25.7 1.0
O E:HOH1005 3.5 17.1 1.0
OE1 E:GLU183 3.9 19.2 1.0
N E:TYR121 4.1 24.1 1.0
OD2 E:ASP45 4.1 16.3 1.0
OD1 E:ASP45 4.2 14.9 1.0
O E:GLY119 4.3 18.6 1.0
ND1 E:HIS178 4.4 19.0 1.0
CB E:TYR121 4.5 27.9 1.0
CG E:ASP45 4.5 15.5 1.0
CD E:GLU183 4.5 20.6 1.0
CA E:HIS120 4.6 22.0 1.0
OE2 E:GLU183 4.6 19.0 1.0
OE1 E:GLU34 4.8 19.4 1.0
O E:SER78 4.8 25.8 1.0
ND1 E:HIS120 4.8 25.0 1.0
O E:GLU177 4.8 31.7 1.0
O E:HOH1624 4.8 41.5 1.0
CZ3 E:TRP154 4.9 25.1 1.0
C E:HIS120 4.9 22.9 1.0
CH2 E:TRP154 4.9 25.9 1.0
O E:HOH1118 4.9 22.0 1.0
CA E:TYR121 4.9 23.7 1.0
O E:HOH1462 5.0 41.3 1.0

Arsenic binding site 6 out of 6 in 3a6f

Go back to Arsenic Binding Sites List in 3a6f
Arsenic binding site 6 out of 6 in the W174F Mutant Creatininase, Type II


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 6 of W174F Mutant Creatininase, Type II within 5.0Å range:
probe atom residue distance (Å) B Occ
F:As303

b:35.0
occ:1.00
 AS F:CAC303 0.0 35.0 1.0
O2 F:CAC303 1.7 26.7 1.0
O1 F:CAC303 1.8 31.7 1.0
C1 F:CAC303 2.0 32.9 1.0
C2 F:CAC303 2.0 30.6 1.0
MN F:MN300 3.0 36.1 1.0
O F:HOH1006 3.2 19.5 1.0
ZN F:ZN301 3.3 24.2 1.0
OD1 F:ASP45 4.1 17.7 1.0
OD2 F:ASP45 4.1 18.8 1.0
N F:TYR121 4.1 20.5 1.0
OE1 F:GLU183 4.2 18.6 1.0
ND1 F:HIS178 4.2 18.3 1.0
O F:GLY119 4.2 18.8 1.0
OE2 F:GLU183 4.4 19.1 1.0
CD F:GLU183 4.5 19.1 1.0
CG F:ASP45 4.5 17.1 1.0
CB F:TYR121 4.5 23.1 1.0
O F:SER78 4.5 22.1 1.0
CA F:HIS120 4.6 19.4 1.0
O F:GLU177 4.7 36.4 1.0
OE2 F:GLU34 4.7 18.0 1.0
CD2 F:HIS120 4.9 13.1 1.0
C F:HIS120 4.9 18.9 1.0
CA F:TYR121 5.0 19.9 1.0
CH2 F:TRP154 5.0 25.2 1.0

Reference:

K.Yamashita, Y.Nakajima, H.Matsushita, Y.Nishiya, R.Yamazawa, Y.F.Wu, F.Matsubara, H.Oyama, K.Ito, T.Yoshimoto. Substitution of GLU122 By Glutamine Revealed the Function of the Second Water Molecule As A Proton Donor in the Binuclear Metal Enzyme Creatininase J.Mol.Biol. V. 396 1081 2010.
ISSN: ISSN 0022-2836
PubMed: 20043918
DOI: 10.1016/J.JMB.2009.12.045
Page generated: Wed Jul 10 11:35:23 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