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Iron in PDB 5chc: Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps

Protein crystallography data

The structure of Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps, PDB code: 5chc was solved by C.-L.Tsai, J.A.Tainer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.52 / 2.38
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 133.926, 176.022, 193.691, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 22.7

Other elements in 5chc:

The structure of Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps also contains other interesting chemical elements:

Molybdenum (Mo) 3 atoms
Zinc (Zn) 3 atoms
Sodium (Na) 8 atoms

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 57;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps (pdb code 5chc). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 57 binding sites of Iron where determined in the Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps, PDB code: 5chc:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 57 in 5chc

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Iron binding site 1 out of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps


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Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1001

b:22.9
occ:1.00
FE1 A:SF41001 0.0 22.9 1.0
S2 A:SF41001 2.2 22.0 1.0
S3 A:SF41001 2.2 25.5 1.0
S4 A:SF41001 2.2 21.4 1.0
SG A:CYS74 2.3 23.5 1.0
FE2 A:SF41001 2.8 27.7 1.0
FE3 A:SF41001 2.9 27.8 1.0
FE4 A:SF41001 2.9 26.4 1.0
CB A:CYS74 3.3 19.5 1.0
S1 A:SF41001 3.8 23.8 1.0
N A:GLY77 3.9 17.9 1.0
N A:CYS74 3.9 23.2 1.0
CA A:CYS74 4.1 20.1 1.0
CA A:GLY77 4.1 20.8 1.0
O A:HOH1157 4.1 22.8 1.0
C A:GLY73 4.3 25.2 1.0
C A:CYS74 4.5 20.3 1.0
O A:CYS74 4.7 21.1 1.0
O A:GLY73 4.7 23.4 1.0
CB A:LYS76 4.8 17.5 1.0
CA A:GLY73 4.9 20.3 1.0
CE A:LYS76 4.9 19.2 1.0
ND1 A:HIS32 4.9 24.6 1.0
NZ A:LYS76 4.9 20.7 1.0
C A:LYS76 4.9 22.1 1.0
N A:LYS76 5.0 20.6 1.0

Iron binding site 2 out of 57 in 5chc

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Iron binding site 2 out of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps


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Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1001

b:27.7
occ:1.00
FE2 A:SF41001 0.0 27.7 1.0
S4 A:SF41001 2.1 21.4 1.0
S3 A:SF41001 2.2 25.5 1.0
S1 A:SF41001 2.2 23.8 1.0
SG A:CYS36 2.4 26.0 1.0
FE1 A:SF41001 2.8 22.9 1.0
FE3 A:SF41001 2.9 27.8 1.0
FE4 A:SF41001 2.9 26.4 1.0
CB A:CYS36 3.3 19.4 1.0
S2 A:SF41001 3.7 22.0 1.0
CA A:GLY38 4.2 24.8 1.0
N A:GLY38 4.3 28.7 1.0
CG2 A:VAL34 4.5 22.5 1.0
O A:HOH1388 4.6 21.2 1.0
CA A:CYS36 4.7 23.0 1.0
CB A:HIS32 4.8 23.4 1.0
N A:ALA39 4.8 25.6 1.0
SG A:CYS74 4.9 23.5 1.0
CG2 A:VAL769 4.9 23.4 1.0
C A:GLY38 5.0 27.5 1.0
O A:HIS32 5.0 26.1 1.0

Iron binding site 3 out of 57 in 5chc

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Iron binding site 3 out of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps


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Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1001

b:27.8
occ:1.00
FE3 A:SF41001 0.0 27.8 1.0
S2 A:SF41001 2.2 22.0 1.0
S1 A:SF41001 2.2 23.8 1.0
S4 A:SF41001 2.2 21.4 1.0
ND1 A:HIS32 2.3 24.6 1.0
FE2 A:SF41001 2.9 27.7 1.0
FE1 A:SF41001 2.9 22.9 1.0
FE4 A:SF41001 2.9 26.4 1.0
CG A:HIS32 3.1 25.1 1.0
CB A:HIS32 3.2 23.4 1.0
CE1 A:HIS32 3.4 24.9 1.0
S3 A:SF41001 3.8 25.5 1.0
CA A:GLY77 3.9 20.8 1.0
O A:HOH1336 4.0 30.8 1.0
CD2 A:HIS32 4.3 27.1 1.0
NE2 A:HIS32 4.4 30.1 1.0
CA A:HIS32 4.5 24.7 1.0
CE1 A:HIS42 4.5 23.0 1.0
N A:GLY77 4.6 17.9 1.0
N A:HIS32 4.7 27.8 1.0
CB A:CYS40 4.7 24.9 1.0
O A:HIS32 4.9 26.1 1.0
ND1 A:HIS42 4.9 20.5 1.0
SG A:CYS36 5.0 26.0 1.0

Iron binding site 4 out of 57 in 5chc

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Iron binding site 4 out of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps


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Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1001

b:26.4
occ:1.00
FE4 A:SF41001 0.0 26.4 1.0
S2 A:SF41001 2.2 22.0 1.0
S3 A:SF41001 2.2 25.5 1.0
S1 A:SF41001 2.2 23.8 1.0
SG A:CYS40 2.4 27.2 1.0
FE2 A:SF41001 2.9 27.7 1.0
FE3 A:SF41001 2.9 27.8 1.0
FE1 A:SF41001 2.9 22.9 1.0
CB A:CYS40 3.0 24.9 1.0
S4 A:SF41001 3.8 21.4 1.0
CA A:GLY38 3.9 24.8 1.0
N A:CYS40 4.0 26.5 1.0
CA A:GLY73 4.1 20.3 1.0
CA A:CYS40 4.1 23.9 1.0
C A:GLY38 4.2 27.5 1.0
N A:GLY73 4.3 21.1 1.0
C A:GLY73 4.3 25.2 1.0
N A:ALA39 4.5 25.6 1.0
O A:GLY73 4.6 23.4 1.0
CG A:PRO210 4.7 19.1 1.0
O A:HOH1336 4.7 30.8 1.0
N A:CYS74 4.7 23.2 1.0
CE1 A:HIS42 4.7 23.0 1.0
SG A:CYS36 4.8 26.0 1.0
O A:GLY38 4.8 27.6 1.0
N A:GLY38 4.9 28.7 1.0
ND1 A:HIS32 4.9 24.6 1.0
SG A:CYS74 5.0 23.5 1.0

Iron binding site 5 out of 57 in 5chc

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Iron binding site 5 out of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:29.1
occ:1.00
FE1 B:F3S401 0.0 29.1 1.0
S3 B:F3S401 2.2 29.3 1.0
S2 B:F3S401 2.2 27.9 1.0
S1 B:F3S401 2.2 30.9 1.0
SG B:CYS170 2.4 31.8 1.0
FE3 B:F3S401 2.7 32.1 1.0
FE4 B:F3S401 2.7 27.9 1.0
CB B:CYS170 3.4 31.9 1.0
N B:GLY172 3.6 33.1 1.0
CA B:CYS170 3.9 34.4 1.0
S4 B:F3S401 4.0 30.4 1.0
CA B:GLY172 4.0 30.2 1.0
N B:LYS171 4.0 39.3 1.0
N B:ALA173 4.1 27.1 1.0
CB B:ALA194 4.2 31.2 1.0
C B:CYS170 4.3 37.5 1.0
N B:ALA194 4.4 31.5 1.0
C B:GLY172 4.5 30.2 1.0
C B:LYS171 4.7 35.3 1.0
CB B:ALA153 4.8 27.1 1.0
CG2 B:ILE165 4.8 24.8 1.0
N B:GLN174 4.8 28.5 1.0
CA B:ALA194 5.0 30.9 1.0
CA B:LYS171 5.0 36.5 1.0

Iron binding site 6 out of 57 in 5chc

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Iron binding site 6 out of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:32.1
occ:1.00
FE3 B:F3S401 0.0 32.1 1.0
S4 B:F3S401 2.2 30.4 1.0
S3 B:F3S401 2.2 29.3 1.0
S1 B:F3S401 2.2 30.9 1.0
FE4 B:F3S401 2.6 27.9 1.0
SG B:CYS149 2.6 35.2 1.0
FE1 B:F3S401 2.7 29.1 1.0
CB B:CYS149 3.4 31.5 1.0
S2 B:F3S401 3.7 27.9 1.0
CA B:CYS149 4.1 31.7 1.0
CB B:ALA153 4.4 27.1 1.0
CB B:ALA173 4.5 18.7 1.0
CD B:PRO150 4.6 33.2 1.0
N B:ALA173 4.7 27.1 1.0
C B:CYS149 4.8 35.1 1.0
ND2 B:ASN151 4.8 38.4 1.0
SG B:CYS176 4.9 28.8 1.0
SG B:CYS170 4.9 31.8 1.0
CB B:ASN151 4.9 29.0 1.0
N B:GLN174 4.9 28.5 1.0
CG1 B:ILE154 5.0 27.6 1.0
N B:PRO150 5.0 35.0 1.0

Iron binding site 7 out of 57 in 5chc

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Iron binding site 7 out of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:27.9
occ:1.00
FE4 B:F3S401 0.0 27.9 1.0
S2 B:F3S401 2.2 27.9 1.0
S3 B:F3S401 2.2 29.3 1.0
S4 B:F3S401 2.2 30.4 1.0
SG B:CYS176 2.5 28.8 1.0
FE3 B:F3S401 2.6 32.1 1.0
FE1 B:F3S401 2.7 29.1 1.0
CB B:CYS176 3.5 28.1 1.0
N B:GLN174 3.8 28.5 1.0
S1 B:F3S401 3.8 30.9 1.0
CB B:ALA194 3.9 31.2 1.0
N B:CYS176 4.0 26.5 1.0
CA B:GLN174 4.1 29.2 1.0
CA B:CYS176 4.4 28.1 1.0
C B:GLN174 4.5 29.7 1.0
N B:ALA175 4.5 27.3 1.0
N B:ALA173 4.7 27.1 1.0
CD1 B:ILE154 4.8 26.5 1.0
SG B:CYS170 4.9 31.8 1.0
C B:ALA173 4.9 26.3 1.0
SG B:CYS149 5.0 35.2 1.0

Iron binding site 8 out of 57 in 5chc

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Iron binding site 8 out of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe402

b:27.3
occ:1.00
FE1 B:SF4402 0.0 27.3 1.0
S2 B:SF4402 2.1 26.3 1.0
S3 B:SF4402 2.2 25.9 1.0
S4 B:SF4402 2.2 22.9 1.0
SG B:CYS180 2.4 30.2 1.0
FE2 B:SF4402 2.8 25.8 1.0
FE3 B:SF4402 2.9 29.6 1.0
FE4 B:SF4402 3.0 25.0 1.0
CB B:CYS180 3.1 26.7 1.0
S1 B:SF4402 3.7 21.6 1.0
CA B:CYS180 4.0 26.2 1.0
CD2 B:TYR182 4.3 27.7 1.0
CD B:PRO185 4.5 26.6 1.0
CB B:LYS184 4.5 23.2 1.0
CB B:TYR182 4.6 24.0 1.0
CD B:PRO181 4.6 27.4 1.0
C B:CYS180 4.7 29.3 1.0
CB B:CYS145 4.9 24.6 1.0
CG B:PRO185 4.9 26.6 1.0
N B:TYR182 4.9 29.4 1.0
N B:LYS184 4.9 24.7 1.0
CG B:TYR182 5.0 25.9 1.0
N B:PRO181 5.0 27.7 1.0

Iron binding site 9 out of 57 in 5chc

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Iron binding site 9 out of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe402

b:25.8
occ:1.00
FE2 B:SF4402 0.0 25.8 1.0
S1 B:SF4402 2.2 21.6 1.0
S4 B:SF4402 2.2 22.9 1.0
S3 B:SF4402 2.2 25.9 1.0
SG B:CYS145 2.4 29.6 1.0
FE1 B:SF4402 2.8 27.3 1.0
FE4 B:SF4402 3.0 25.0 1.0
FE3 B:SF4402 3.0 29.6 1.0
CB B:CYS145 3.1 24.6 1.0
S2 B:SF4402 3.7 26.3 1.0
N B:CYS145 3.9 32.0 1.0
CA B:CYS145 4.1 28.3 1.0
CB B:PRO143 4.2 28.4 1.0
CA B:PRO143 4.5 30.1 1.0
N B:ALA144 4.6 29.0 1.0
C B:PRO143 4.7 32.9 1.0
CB B:CYS180 4.8 26.7 1.0
CE B:LYS196 4.8 24.3 1.0
N B:LEU146 4.9 30.4 1.0
SG B:CYS180 4.9 30.2 1.0
CG1 B:VAL163 5.0 27.4 1.0
SG B:CYS137 5.0 23.9 1.0

Iron binding site 10 out of 57 in 5chc

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Iron binding site 10 out of 57 in the Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of the Perchlorate Reductase Pcrab - Substrate Analog SEO3 Bound - From Azospira Suillum Ps within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe402

b:29.6
occ:1.00
FE3 B:SF4402 0.0 29.6 1.0
S4 B:SF4402 2.2 22.9 1.0
S1 B:SF4402 2.2 21.6 1.0
S2 B:SF4402 2.2 26.3 1.0
SG B:CYS140 2.4 31.6 1.0
FE1 B:SF4402 2.9 27.3 1.0
FE2 B:SF4402 3.0 25.8 1.0
FE4 B:SF4402 3.0 25.0 1.0
CB B:CYS140 3.3 24.6 1.0
S3 B:SF4402 3.8 25.9 1.0
N B:CYS140 4.0 26.8 1.0
CA B:CYS140 4.3 26.8 1.0
CB B:ASN138 4.5 25.1 1.0
N B:ASN138 4.5 26.1 1.0
OG1 B:THR252 4.5 29.2 1.0
CA B:PRO143 4.5 30.1 1.0
N B:HIS139 4.6 27.0 1.0
CB B:THR252 4.7 30.3 1.0
CD2 B:TYR182 4.7 27.7 1.0
C B:ASN138 4.8 28.1 1.0
CA B:ASN138 4.8 27.7 1.0
CB B:PRO143 4.8 28.4 1.0
SG B:CYS137 4.9 23.9 1.0
CE2 B:TYR182 4.9 30.3 1.0
N B:ALA144 5.0 29.0 1.0

Reference:

M.D.Youngblut, C.L.Tsai, I.C.Clark, H.K.Carlson, A.P.Maglaqui, P.S.Gau-Pan, S.A.Redford, A.Wong, J.A.Tainer, J.D.Coates. Perchlorate Reductase Is Distinguished By Active Site Aromatic Gate Residues. J.Biol.Chem. V. 291 9190 2016.
ISSN: ESSN 1083-351X
PubMed: 26940877
DOI: 10.1074/JBC.M116.714618
Page generated: Sun Dec 13 15:57:52 2020

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