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Iron in PDB 4v1y: The Structure of the Hexameric Atrazine Chlorohydrolase, Atza

Enzymatic activity of The Structure of the Hexameric Atrazine Chlorohydrolase, Atza

All present enzymatic activity of The Structure of the Hexameric Atrazine Chlorohydrolase, Atza:
3.8.1.8;

Protein crystallography data

The structure of The Structure of the Hexameric Atrazine Chlorohydrolase, Atza, PDB code: 4v1y was solved by T.S.Peat, J.Newman, S.Balotra, D.Lucent, A.C.Warden, C.Scott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 161.05 / 2.80
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 117.487, 195.564, 283.882, 90.00, 90.00, 90.00
R / Rfree (%) 18.742 / 21.794

Other elements in 4v1y:

The structure of The Structure of the Hexameric Atrazine Chlorohydrolase, Atza also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the The Structure of the Hexameric Atrazine Chlorohydrolase, Atza (pdb code 4v1y). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the The Structure of the Hexameric Atrazine Chlorohydrolase, Atza, PDB code: 4v1y:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in 4v1y

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Iron binding site 1 out of 12 in the The Structure of the Hexameric Atrazine Chlorohydrolase, Atza


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure of the Hexameric Atrazine Chlorohydrolase, Atza within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe481

b:33.9
occ:0.50
OD1 A:ASP327 2.4 27.6 1.0
NE2 A:HIS276 2.7 30.3 1.0
NE2 A:HIS66 2.8 19.2 1.0
NE2 A:HIS68 2.9 24.9 1.0
NE2 A:HIS243 3.2 38.9 1.0
CG A:ASP327 3.4 23.4 1.0
CD2 A:HIS68 3.4 24.6 1.0
CD2 A:HIS243 3.5 39.5 1.0
CD2 A:HIS66 3.5 18.7 1.0
OD2 A:ASP327 3.5 23.6 1.0
CE1 A:HIS276 3.6 31.2 1.0
CD2 A:HIS276 3.6 29.4 1.0
CE1 A:HIS66 3.9 18.4 1.0
CE1 A:HIS68 4.0 23.9 1.0
ND2 A:ASN328 4.2 21.6 1.0
CE1 A:HIS243 4.4 42.2 1.0
OE2 A:GLU246 4.4 47.1 1.0
OE1 A:GLU246 4.5 54.8 1.0
CG A:HIS68 4.6 22.9 1.0
CG A:HIS66 4.7 18.1 1.0
CB A:ASP327 4.7 21.7 1.0
CG A:HIS243 4.8 36.2 1.0
CD A:GLU246 4.8 54.4 1.0
ND1 A:HIS276 4.8 30.8 1.0
CG A:HIS276 4.8 29.7 1.0
ND1 A:HIS68 4.9 24.0 1.0
ND1 A:HIS66 4.9 18.3 1.0
CG A:ASN328 5.0 20.7 1.0

Iron binding site 2 out of 12 in 4v1y

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Iron binding site 2 out of 12 in the The Structure of the Hexameric Atrazine Chlorohydrolase, Atza


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of The Structure of the Hexameric Atrazine Chlorohydrolase, Atza within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe481

b:27.8
occ:0.50
OD1 B:ASP327 2.4 17.1 1.0
NE2 B:HIS276 2.7 24.8 1.0
NE2 B:HIS66 2.8 14.7 1.0
NE2 B:HIS68 2.9 19.6 1.0
NE2 B:HIS243 3.2 28.9 1.0
CG B:ASP327 3.3 17.4 1.0
CD2 B:HIS243 3.4 29.0 1.0
CD2 B:HIS68 3.4 18.7 1.0
CD2 B:HIS66 3.5 14.4 1.0
OD2 B:ASP327 3.5 17.3 1.0
CD2 B:HIS276 3.6 24.3 1.0
CE1 B:HIS276 3.6 23.5 1.0
CE1 B:HIS66 4.0 14.4 1.0
CE1 B:HIS68 4.0 19.3 1.0
ND2 B:ASN328 4.1 23.5 1.0
CE1 B:HIS243 4.4 29.1 1.0
OE2 B:GLU246 4.4 37.1 1.0
OE1 B:GLU246 4.4 38.5 1.0
CG B:HIS68 4.7 17.6 1.0
CG B:HIS243 4.7 27.0 1.0
ND1 B:HIS276 4.8 23.3 1.0
CB B:ASP327 4.8 16.9 1.0
CD B:GLU246 4.8 41.7 1.0
CG B:HIS66 4.8 13.4 1.0
CG B:HIS276 4.8 23.6 1.0
ND1 B:HIS68 4.9 19.2 1.0
CG B:ASN328 4.9 22.1 1.0
ND1 B:HIS66 5.0 14.0 1.0

Iron binding site 3 out of 12 in 4v1y

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Iron binding site 3 out of 12 in the The Structure of the Hexameric Atrazine Chlorohydrolase, Atza


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of The Structure of the Hexameric Atrazine Chlorohydrolase, Atza within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe481

b:38.7
occ:0.50
NE2 C:HIS243 2.7 49.0 1.0
NE2 C:HIS276 2.8 46.4 1.0
NE2 C:HIS68 2.8 38.8 1.0
CD2 C:HIS243 3.0 46.9 1.0
OD1 C:ASP327 3.0 27.8 1.0
NE2 C:HIS66 3.1 23.9 1.0
CD2 C:HIS68 3.6 36.0 1.0
CD2 C:HIS276 3.6 45.5 1.0
CE1 C:HIS68 3.8 38.8 1.0
CG C:ASP327 3.9 29.6 1.0
CE1 C:HIS276 3.9 44.8 1.0
CD2 C:HIS66 3.9 24.3 1.0
OD2 C:ASP327 4.0 33.7 1.0
CE1 C:HIS243 4.0 52.1 1.0
CE1 C:HIS66 4.1 25.1 1.0
OE1 C:GLU246 4.1 62.2 1.0
ND2 C:ASN328 4.3 35.3 1.0
CG C:HIS243 4.3 44.9 1.0
OE2 C:GLU246 4.3 68.1 1.0
CD C:GLU246 4.5 71.5 1.0
CG C:HIS68 4.7 35.3 1.0
ND1 C:HIS243 4.8 50.8 1.0
ND1 C:HIS68 4.8 38.0 1.0
CG C:HIS276 4.8 43.4 1.0
ND1 C:HIS276 4.9 46.0 1.0

Iron binding site 4 out of 12 in 4v1y

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Iron binding site 4 out of 12 in the The Structure of the Hexameric Atrazine Chlorohydrolase, Atza


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of The Structure of the Hexameric Atrazine Chlorohydrolase, Atza within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe481

b:26.7
occ:0.50
OD1 D:ASP327 2.5 19.7 1.0
NE2 D:HIS66 2.5 17.7 1.0
NE2 D:HIS68 2.7 24.2 1.0
NE2 D:HIS276 2.8 35.2 1.0
NE2 D:HIS243 3.0 27.6 1.0
CD2 D:HIS68 3.2 23.5 1.0
CD2 D:HIS66 3.3 17.4 1.0
CD2 D:HIS243 3.4 27.9 1.0
CG D:ASP327 3.5 20.5 1.0
CE1 D:HIS66 3.6 17.7 1.0
CD2 D:HIS276 3.7 33.6 1.0
OD2 D:ASP327 3.7 22.3 1.0
CE1 D:HIS276 3.8 35.3 1.0
CE1 D:HIS68 3.8 24.3 1.0
CE1 D:HIS243 4.2 28.3 1.0
ND2 D:ASN328 4.3 25.1 1.0
CG D:HIS68 4.5 23.2 1.0
CG D:HIS66 4.5 16.9 1.0
OE1 D:GLU246 4.6 59.3 1.0
ND1 D:HIS66 4.7 17.3 1.0
CG D:HIS243 4.7 27.4 1.0
OE2 D:GLU246 4.7 54.4 1.0
ND1 D:HIS68 4.8 25.1 1.0
CB D:ASP327 4.8 20.7 1.0
CG D:HIS276 4.9 32.8 1.0
ND1 D:HIS276 4.9 35.3 1.0

Iron binding site 5 out of 12 in 4v1y

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Iron binding site 5 out of 12 in the The Structure of the Hexameric Atrazine Chlorohydrolase, Atza


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of The Structure of the Hexameric Atrazine Chlorohydrolase, Atza within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Fe481

b:33.1
occ:0.50
OD1 E:ASP327 2.3 23.5 1.0
NE2 E:HIS66 2.6 17.1 1.0
NE2 E:HIS276 2.7 29.9 1.0
NE2 E:HIS68 2.9 21.3 1.0
NE2 E:HIS243 3.2 29.1 1.0
CD2 E:HIS66 3.2 17.1 1.0
CG E:ASP327 3.3 21.9 1.0
CD2 E:HIS68 3.4 20.2 1.0
CD2 E:HIS243 3.5 29.2 1.0
OD2 E:ASP327 3.6 21.7 1.0
CD2 E:HIS276 3.6 31.1 1.0
CE1 E:HIS276 3.6 30.4 1.0
CE1 E:HIS66 3.7 17.0 1.0
CE1 E:HIS68 4.0 21.3 1.0
ND2 E:ASN328 4.2 30.5 1.0
CE1 E:HIS243 4.4 31.0 1.0
CG E:HIS66 4.5 17.2 1.0
OE2 E:GLU246 4.6 67.3 1.0
OE1 E:GLU246 4.6 57.4 1.0
CG E:HIS68 4.6 20.0 1.0
CB E:ASP327 4.7 21.9 1.0
ND1 E:HIS66 4.7 17.2 1.0
ND1 E:HIS276 4.7 31.5 1.0
CG E:HIS276 4.8 30.9 1.0
CG E:HIS243 4.8 28.7 1.0
CD E:GLU246 4.9 65.1 1.0
ND1 E:HIS68 4.9 21.1 1.0
CA E:ASP327 5.0 21.8 1.0
CG E:GLN298 5.0 19.0 1.0

Iron binding site 6 out of 12 in 4v1y

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Iron binding site 6 out of 12 in the The Structure of the Hexameric Atrazine Chlorohydrolase, Atza


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of The Structure of the Hexameric Atrazine Chlorohydrolase, Atza within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Fe481

b:27.6
occ:0.50
OD1 F:ASP327 2.1 28.1 1.0
NE2 F:HIS276 2.5 35.8 1.0
NE2 F:HIS66 2.8 17.9 1.0
CG F:ASP327 3.0 24.9 1.0
NE2 F:HIS68 3.1 19.3 1.0
OD2 F:ASP327 3.2 25.5 1.0
CD2 F:HIS66 3.3 17.6 1.0
CE1 F:HIS276 3.4 37.7 1.0
CD2 F:HIS68 3.5 19.3 1.0
NE2 F:HIS243 3.5 34.0 1.0
CD2 F:HIS276 3.6 36.0 1.0
CD2 F:HIS243 3.7 34.3 1.0
CE1 F:HIS66 4.0 18.5 1.0
ND2 F:ASN328 4.0 27.8 1.0
CE1 F:HIS68 4.2 20.0 1.0
OE2 F:GLU246 4.4 61.1 1.0
CB F:ASP327 4.4 23.0 1.0
OE1 F:GLU246 4.5 64.0 1.0
ND1 F:HIS276 4.6 36.3 1.0
CG F:HIS66 4.7 17.6 1.0
CG F:HIS276 4.7 34.6 1.0
CG F:HIS68 4.7 19.1 1.0
CE1 F:HIS243 4.7 35.8 1.0
CD F:GLU246 4.8 60.0 1.0
CA F:ASP327 4.8 21.8 1.0
CG F:GLN298 4.8 22.9 1.0
CG F:ASN328 4.9 27.9 1.0
ND1 F:HIS66 4.9 18.3 1.0

Iron binding site 7 out of 12 in 4v1y

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Iron binding site 7 out of 12 in the The Structure of the Hexameric Atrazine Chlorohydrolase, Atza


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of The Structure of the Hexameric Atrazine Chlorohydrolase, Atza within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Fe481

b:31.6
occ:0.50
OD1 G:ASP327 1.9 22.1 1.0
NE2 G:HIS66 2.6 15.5 1.0
NE2 G:HIS68 2.8 22.7 1.0
CG G:ASP327 3.0 20.8 1.0
NE2 G:HIS276 3.0 43.3 1.0
CD2 G:HIS68 3.1 23.0 1.0
CD2 G:HIS66 3.1 15.2 1.0
OD2 G:ASP327 3.3 21.1 1.0
NE2 G:HIS243 3.4 37.9 1.0
CD2 G:HIS243 3.8 38.3 1.0
CE1 G:HIS66 3.8 15.4 1.0
CE1 G:HIS276 3.9 44.4 1.0
CD2 G:HIS276 3.9 43.4 1.0
ND2 G:ASN328 4.0 26.4 1.0
CE1 G:HIS68 4.0 22.2 1.0
CB G:ASP327 4.3 20.4 1.0
CG G:HIS68 4.4 22.0 1.0
CG G:HIS66 4.5 14.6 1.0
CA G:ASP327 4.6 20.6 1.0
CE1 G:HIS243 4.6 38.3 1.0
OE2 G:GLU246 4.7 57.8 1.0
ND1 G:HIS66 4.8 14.9 1.0
CG G:ASN328 4.8 25.9 1.0
CG G:GLN298 4.8 17.3 1.0
ND1 G:HIS68 4.8 22.7 1.0
N G:ASN328 4.8 21.9 1.0
OE1 G:GLU246 5.0 71.0 1.0

Iron binding site 8 out of 12 in 4v1y

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Iron binding site 8 out of 12 in the The Structure of the Hexameric Atrazine Chlorohydrolase, Atza


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of The Structure of the Hexameric Atrazine Chlorohydrolase, Atza within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Fe481

b:30.0
occ:0.50
OD1 H:ASP327 2.5 24.7 1.0
NE2 H:HIS66 2.5 22.8 1.0
NE2 H:HIS276 2.7 53.3 1.0
NE2 H:HIS68 2.8 29.7 1.0
NE2 H:HIS243 3.0 41.4 1.0
CD2 H:HIS243 3.3 41.9 1.0
CD2 H:HIS66 3.3 23.0 1.0
CD2 H:HIS68 3.4 28.5 1.0
CG H:ASP327 3.5 25.6 1.0
CD2 H:HIS276 3.6 51.5 1.0
CE1 H:HIS66 3.6 24.0 1.0
CE1 H:HIS276 3.7 50.3 1.0
OD2 H:ASP327 3.8 30.4 1.0
CE1 H:HIS68 4.0 29.0 1.0
CE1 H:HIS243 4.2 42.3 1.0
ND2 H:ASN328 4.3 29.3 1.0
OE1 H:GLU246 4.5 74.9 1.0
CG H:HIS243 4.6 41.2 1.0
CG H:HIS66 4.6 22.9 1.0
OE2 H:GLU246 4.6 62.6 1.0
CG H:HIS68 4.7 27.2 1.0
ND1 H:HIS66 4.7 23.8 1.0
CG H:HIS276 4.8 50.0 1.0
ND1 H:HIS276 4.8 51.6 1.0
CD H:GLU246 4.9 73.5 1.0
CB H:ASP327 4.9 24.0 1.0
ND1 H:HIS68 4.9 29.3 1.0
ND1 H:HIS243 5.0 42.8 1.0

Iron binding site 9 out of 12 in 4v1y

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Iron binding site 9 out of 12 in the The Structure of the Hexameric Atrazine Chlorohydrolase, Atza


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of The Structure of the Hexameric Atrazine Chlorohydrolase, Atza within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Fe481

b:35.7
occ:0.50
OD1 I:ASP327 2.1 18.0 1.0
NE2 I:HIS66 2.7 14.8 1.0
NE2 I:HIS276 2.7 29.2 1.0
NE2 I:HIS68 2.9 17.4 1.0
CG I:ASP327 3.1 17.0 1.0
CD2 I:HIS66 3.3 14.2 1.0
CD2 I:HIS68 3.3 17.5 1.0
NE2 I:HIS243 3.4 32.4 1.0
OD2 I:ASP327 3.4 17.3 1.0
CE1 I:HIS276 3.6 28.6 1.0
CD2 I:HIS243 3.7 30.8 1.0
CD2 I:HIS276 3.7 28.9 1.0
CE1 I:HIS66 3.8 14.3 1.0
CE1 I:HIS68 4.1 17.5 1.0
ND2 I:ASN328 4.1 19.1 1.0
CB I:ASP327 4.5 16.7 1.0
CG I:HIS68 4.6 16.5 1.0
CG I:HIS66 4.6 13.7 1.0
OE2 I:GLU246 4.6 43.9 1.0
CE1 I:HIS243 4.6 31.4 1.0
OE1 I:GLU246 4.7 45.8 1.0
ND1 I:HIS276 4.8 28.1 1.0
CA I:ASP327 4.8 16.4 1.0
ND1 I:HIS66 4.8 13.9 1.0
CG I:HIS276 4.9 28.0 1.0
ND1 I:HIS68 4.9 17.8 1.0
CG I:GLN298 4.9 13.9 1.0
CG I:ASN328 4.9 18.7 1.0
CD I:GLU246 5.0 51.1 1.0
CG I:HIS243 5.0 28.2 1.0

Iron binding site 10 out of 12 in 4v1y

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Iron binding site 10 out of 12 in the The Structure of the Hexameric Atrazine Chlorohydrolase, Atza


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of The Structure of the Hexameric Atrazine Chlorohydrolase, Atza within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Fe481

b:32.3
occ:0.50
OD1 J:ASP327 2.6 19.9 1.0
NE2 J:HIS68 2.6 21.3 1.0
NE2 J:HIS66 2.7 15.1 1.0
NE2 J:HIS276 2.9 42.8 1.0
NE2 J:HIS243 2.9 33.0 1.0
CD2 J:HIS243 3.3 31.7 1.0
CD2 J:HIS68 3.3 21.2 1.0
CD2 J:HIS66 3.5 14.6 1.0
CG J:ASP327 3.6 20.0 1.0
CD2 J:HIS276 3.7 42.9 1.0
CE1 J:HIS68 3.7 21.5 1.0
CE1 J:HIS66 3.8 15.1 1.0
OD2 J:ASP327 3.8 19.9 1.0
CE1 J:HIS276 3.9 42.0 1.0
CE1 J:HIS243 4.1 34.0 1.0
ND2 J:ASN328 4.3 24.8 1.0
CG J:HIS68 4.5 20.5 1.0
OE1 J:GLU246 4.5 57.3 1.0
CG J:HIS243 4.6 30.0 1.0
OE2 J:GLU246 4.6 64.4 1.0
ND1 J:HIS68 4.7 22.9 1.0
CG J:HIS66 4.7 14.7 1.0
ND1 J:HIS66 4.8 15.1 1.0
CD J:GLU246 4.9 64.6 1.0
CG J:HIS276 4.9 40.9 1.0
ND1 J:HIS276 5.0 43.3 1.0
ND1 J:HIS243 5.0 33.7 1.0
CB J:ASP327 5.0 19.9 1.0

Reference:

T.S.Peat, J.Newman, S.Balotra, D.Lucent, A.C.Warden, C.Scott. The Structure of the Hexameric Atrazine Chlorohydrolase Atza Acta Crystallogr.,Sect.D V. 71 710 2015.
ISSN: ISSN 0907-4449
DOI: 10.1107/S1399004715000619
Page generated: Sun Dec 13 15:50:29 2020

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