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Iron in PDB 4v1x: 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: 4v1x 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) 117.19 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 117.269, 146.056, 196.361, 90.00, 90.00, 90.00
R / Rfree (%) 16.553 / 19.631

Iron Binding Sites:

The binding sites of Iron atom in the The Structure of the Hexameric Atrazine Chlorohydrolase, Atza (pdb code 4v1x). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the The Structure of the Hexameric Atrazine Chlorohydrolase, Atza, PDB code: 4v1x:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 4v1x

Go back to Iron Binding Sites List in 4v1x
Iron binding site 1 out of 6 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:29.3
occ:0.50
 OD1 A:ASP327 2.5 17.4 1.0
NE2 A:HIS66 2.8 17.4 1.0
NE2 A:HIS276 2.9 23.7 1.0
NE2 A:HIS68 2.9 18.4 1.0
NE2 A:HIS243 3.0 24.3 1.0
CD2 A:HIS243 3.2 24.5 1.0
O A:HOH2082 3.3 20.5 1.0
CG A:ASP327 3.4 16.5 1.0
CD2 A:HIS68 3.5 19.1 1.0
CD2 A:HIS66 3.5 16.8 1.0
OD2 A:ASP327 3.6 18.9 1.0
CE1 A:HIS276 3.7 20.1 1.0
CE1 A:HIS66 3.9 16.9 1.0
CD2 A:HIS276 3.9 20.9 1.0
CE1 A:HIS68 4.0 19.8 1.0
ND2 A:ASN328 4.3 20.2 1.0
CE1 A:HIS243 4.3 23.2 1.0
OE1 A:GLU246 4.4 32.1 1.0
CG A:HIS243 4.6 23.0 1.0
OE2 A:GLU246 4.7 33.8 1.0
CG A:HIS68 4.7 20.1 1.0
CG A:HIS66 4.7 15.6 1.0
CB A:ASP327 4.9 14.5 1.0
CD A:GLU246 4.9 34.1 1.0
ND1 A:HIS66 4.9 17.0 1.0
ND1 A:HIS276 4.9 20.7 1.0
ND1 A:HIS68 5.0 23.1 1.0
O A:HOH2020 5.0 32.2 1.0

Iron binding site 2 out of 6 in 4v1x

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Iron binding site 2 out of 6 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:26.4
occ:0.50
 OD1 B:ASP327 2.5 17.2 1.0
NE2 B:HIS66 2.7 14.1 1.0
NE2 B:HIS68 2.8 20.4 1.0
O B:HOH2028 2.8 33.2 1.0
NE2 B:HIS276 3.0 30.0 1.0
NE2 B:HIS243 3.0 24.7 1.0
CD2 B:HIS243 3.2 22.1 1.0
CD2 B:HIS68 3.3 18.6 1.0
CG B:ASP327 3.4 17.6 1.0
CD2 B:HIS66 3.5 14.1 1.0
OD2 B:ASP327 3.6 18.1 1.0
CE1 B:HIS276 3.8 26.4 1.0
CE1 B:HIS66 3.8 14.9 1.0
CE1 B:HIS68 3.9 18.3 1.0
CD2 B:HIS276 4.0 29.9 1.0
CE1 B:HIS243 4.3 24.8 1.0
ND2 B:ASN328 4.3 21.6 1.0
OE1 B:GLU246 4.4 33.4 1.0
CG B:HIS243 4.6 20.6 1.0
CG B:HIS68 4.6 19.1 1.0
CG B:HIS66 4.7 13.4 1.0
OE2 B:GLU246 4.8 32.8 1.0
ND1 B:HIS68 4.8 18.9 1.0
CB B:ASP327 4.9 15.6 1.0
ND1 B:HIS66 4.9 14.3 1.0
CD B:GLU246 4.9 35.9 1.0
ND1 B:HIS276 5.0 26.2 1.0

Iron binding site 3 out of 6 in 4v1x

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Iron binding site 3 out of 6 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:26.0
occ:0.50
 OD1 C:ASP327 2.5 16.5 1.0
NE2 C:HIS66 2.8 15.4 1.0
NE2 C:HIS68 2.9 17.5 1.0
NE2 C:HIS276 2.9 18.5 1.0
O C:HOH2183 3.0 34.1 1.0
NE2 C:HIS243 3.0 20.0 1.0
CD2 C:HIS243 3.2 20.6 1.0
O C:HOH2097 3.2 23.5 1.0
CG C:ASP327 3.4 17.4 1.0
CD2 C:HIS68 3.4 15.3 1.0
CD2 C:HIS66 3.5 14.3 1.0
OD2 C:ASP327 3.6 18.0 1.0
CE1 C:HIS276 3.7 19.9 1.0
CE1 C:HIS66 3.9 14.8 1.0
CD2 C:HIS276 4.0 20.0 1.0
CE1 C:HIS68 4.0 16.5 1.0
CE1 C:HIS243 4.3 20.2 1.0
OE1 C:GLU246 4.3 28.3 1.0
ND2 C:ASN328 4.3 18.9 1.0
CG C:HIS243 4.6 17.5 1.0
O C:HOH2032 4.6 22.7 1.0
CG C:HIS68 4.7 15.5 1.0
OE2 C:GLU246 4.7 28.9 1.0
CG C:HIS66 4.8 13.3 1.0
CD C:GLU246 4.8 33.2 1.0
CB C:ASP327 4.9 13.7 1.0
ND1 C:HIS276 4.9 20.1 1.0
ND1 C:HIS66 4.9 14.3 1.0
ND1 C:HIS68 4.9 18.6 1.0

Iron binding site 4 out of 6 in 4v1x

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Iron binding site 4 out of 6 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:27.7
occ:0.50
 OD1 D:ASP327 2.5 19.0 1.0
NE2 D:HIS68 2.9 18.8 1.0
NE2 D:HIS66 2.9 17.1 1.0
NE2 D:HIS276 2.9 23.6 1.0
NE2 D:HIS243 3.1 25.0 1.0
CD2 D:HIS243 3.3 25.6 1.0
CD2 D:HIS68 3.4 19.4 1.0
CG D:ASP327 3.4 18.1 1.0
O D:HOH2068 3.4 22.5 1.0
OD2 D:ASP327 3.6 20.2 1.0
CD2 D:HIS66 3.6 14.6 1.0
CE1 D:HIS276 3.7 23.4 1.0
CE1 D:HIS66 4.0 16.8 1.0
CE1 D:HIS68 4.0 20.6 1.0
CD2 D:HIS276 4.0 25.1 1.0
ND2 D:ASN328 4.2 18.8 1.0
OE1 D:GLU246 4.3 29.3 1.0
CE1 D:HIS243 4.4 24.7 1.0
CG D:HIS243 4.6 22.3 1.0
CG D:HIS68 4.6 18.5 1.0
OE2 D:GLU246 4.7 31.4 1.0
CD D:GLU246 4.8 35.6 1.0
CB D:ASP327 4.9 15.3 1.0
CG D:HIS66 4.9 14.7 1.0
ND1 D:HIS68 4.9 23.1 1.0
ND1 D:HIS276 4.9 23.6 1.0

Iron binding site 5 out of 6 in 4v1x

Go back to Iron Binding Sites List in 4v1x
Iron binding site 5 out of 6 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:23.2
occ:0.50
 OD1 E:ASP327 2.4 13.4 1.0
NE2 E:HIS66 2.8 12.4 1.0
NE2 E:HIS276 2.8 20.0 1.0
NE2 E:HIS68 2.9 16.9 1.0
NE2 E:HIS243 3.1 17.8 1.0
CD2 E:HIS243 3.3 18.4 1.0
CG E:ASP327 3.4 12.8 1.0
O E:HOH2087 3.4 22.8 1.0
CD2 E:HIS68 3.4 16.4 1.0
CD2 E:HIS66 3.5 11.5 1.0
OD2 E:ASP327 3.5 14.9 1.0
CE1 E:HIS276 3.6 20.8 1.0
CD2 E:HIS276 3.9 19.2 1.0
CE1 E:HIS66 3.9 12.5 1.0
CE1 E:HIS68 4.1 15.1 1.0
OE1 E:GLU246 4.3 22.8 1.0
ND2 E:ASN328 4.3 14.8 1.0
CE1 E:HIS243 4.4 17.7 1.0
CG E:HIS243 4.6 17.3 1.0
OE2 E:GLU246 4.7 23.8 1.0
CG E:HIS68 4.7 14.9 1.0
CG E:HIS66 4.7 11.7 1.0
CB E:ASP327 4.8 10.7 1.0
CD E:GLU246 4.8 28.8 1.0
ND1 E:HIS276 4.8 19.8 1.0
ND1 E:HIS66 4.9 12.5 1.0
ND1 E:HIS68 5.0 16.1 1.0
CG E:HIS276 5.0 19.9 1.0

Iron binding site 6 out of 6 in 4v1x

Go back to Iron Binding Sites List in 4v1x
Iron binding site 6 out of 6 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:26.0
occ:0.50
 OD1 F:ASP327 2.5 15.7 1.0
NE2 F:HIS66 2.7 13.6 1.0
NE2 F:HIS276 2.8 22.6 1.0
NE2 F:HIS68 3.0 16.0 1.0
NE2 F:HIS243 3.1 20.3 1.0
CD2 F:HIS243 3.2 18.0 1.0
O F:HOH2070 3.3 21.5 1.0
CD2 F:HIS66 3.4 12.9 1.0
CG F:ASP327 3.4 15.9 1.0
CD2 F:HIS68 3.5 16.1 1.0
OD2 F:ASP327 3.6 19.7 1.0
CE1 F:HIS276 3.6 22.1 1.0
CE1 F:HIS66 3.8 13.3 1.0
CD2 F:HIS276 3.8 21.5 1.0
CE1 F:HIS68 4.1 17.3 1.0
OE1 F:GLU246 4.3 31.2 1.0
CE1 F:HIS243 4.3 19.9 1.0
ND2 F:ASN328 4.4 15.2 1.0
CG F:HIS243 4.5 17.8 1.0
CG F:HIS66 4.6 12.1 1.0
OE2 F:GLU246 4.7 30.2 1.0
CG F:HIS68 4.8 15.4 1.0
ND1 F:HIS276 4.8 21.6 1.0
ND1 F:HIS66 4.8 13.8 1.0
CD F:GLU246 4.8 34.1 1.0
CB F:ASP327 4.9 13.9 1.0
CG F:HIS276 4.9 23.0 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: Mon Aug 5 14:10:04 2024

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