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Iron in PDB 1aor: Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase

Protein crystallography data

The structure of Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase, PDB code: 1aor was solved by M.K.Chan, S.Mukund, A.Kletzin, M.W.W.Adams, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 80.939, 108.332, 159.792, 90.00, 90.00, 90.00
R / Rfree (%) 15.5 / n/a

Other elements in 1aor:

The structure of Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase also contains other interesting chemical elements:

Tungsten (W) 2 atoms
Magnesium (Mg) 2 atoms
Sodium (Na) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase (pdb code 1aor). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 9 binding sites of Iron where determined in the Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase, PDB code: 1aor:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Iron binding site 1 out of 9 in 1aor

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Iron binding site 1 out of 9 in the Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe606

b:17.5
occ:1.00
OE1 A:GLU332 2.0 13.6 1.0
OE1 B:GLU332 2.0 15.5 1.0
NE2 B:HIS383 2.1 13.8 1.0
NE2 A:HIS383 2.1 14.6 1.0
CD A:GLU332 2.7 15.7 1.0
OE2 A:GLU332 2.7 15.7 1.0
CD B:GLU332 2.7 14.9 1.0
OE2 B:GLU332 2.7 18.6 1.0
CD2 B:HIS383 3.0 13.6 1.0
CD2 A:HIS383 3.1 17.1 1.0
CE1 A:HIS383 3.1 15.7 1.0
CE1 B:HIS383 3.1 10.9 1.0
CG A:GLU332 4.2 11.4 1.0
CG B:GLU332 4.2 11.9 1.0
CG B:HIS383 4.2 15.5 1.0
O A:HOH5018 4.2 38.8 1.0
ND1 B:HIS383 4.2 12.4 1.0
CG A:HIS383 4.2 18.3 1.0
ND1 A:HIS383 4.2 15.7 1.0
OG A:SER329 4.3 15.5 1.0
OG B:SER329 4.3 16.3 1.0
O B:HOH5044 4.5 36.6 1.0
CA A:SER329 4.7 10.9 1.0
CB A:GLU332 4.7 13.1 1.0
CB B:GLU332 4.7 12.7 1.0
CA B:SER329 4.8 15.9 1.0
CG2 A:THR303 4.9 17.9 1.0
CB A:SER329 5.0 12.7 1.0

Iron binding site 2 out of 9 in 1aor

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Iron binding site 2 out of 9 in the Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe608

b:24.1
occ:1.00
FE1 A:SF4608 0.0 24.1 1.0
S4 A:SF4608 2.3 17.4 1.0
S2 A:SF4608 2.3 23.8 1.0
S3 A:SF4608 2.3 23.5 1.0
SG A:CYS288 2.3 21.6 1.0
FE3 A:SF4608 2.5 21.3 1.0
FE4 A:SF4608 2.6 20.7 1.0
FE2 A:SF4608 2.7 19.6 1.0
CB A:CYS288 3.3 22.7 1.0
S1 A:SF4608 3.9 17.6 1.0
N A:CYS288 3.9 21.1 1.0
NH2 A:ARG76 4.1 34.3 1.0
NH1 A:ARG182 4.1 17.5 1.0
CA A:CYS288 4.2 23.3 1.0
SG A:CYS291 4.5 22.4 1.0
CZ A:ARG182 4.7 21.1 1.0
SG A:CYS295 4.7 18.1 1.0
NH2 A:ARG182 4.8 23.1 1.0
SG A:CYS494 4.8 17.7 1.0
CB A:CYS291 4.8 19.7 1.0
O A:HOH5024 4.9 17.5 1.0
NE A:ARG76 4.9 30.3 1.0
O A:HOH5157 4.9 54.6 1.0
CZ A:ARG76 5.0 30.3 1.0
C A:PRO287 5.0 20.7 1.0

Iron binding site 3 out of 9 in 1aor

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Iron binding site 3 out of 9 in the Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe608

b:19.6
occ:1.00
FE2 A:SF4608 0.0 19.6 1.0
S4 A:SF4608 2.3 17.4 1.0
S3 A:SF4608 2.3 23.5 1.0
S1 A:SF4608 2.3 17.6 1.0
SG A:CYS494 2.3 17.7 1.0
FE3 A:SF4608 2.6 21.3 1.0
FE4 A:SF4608 2.6 20.7 1.0
FE1 A:SF4608 2.7 24.1 1.0
CB A:CYS494 3.4 18.8 1.0
S2 A:SF4608 3.9 23.8 1.0
CD2 A:PHE496 3.9 21.9 1.0
NH2 A:ARG76 3.9 34.3 1.0
OG1 A:THR73 4.3 24.8 1.0
CG A:PHE496 4.6 22.8 1.0
CE2 A:PHE496 4.6 22.4 1.0
CB A:PHE496 4.6 21.4 1.0
SG A:CYS295 4.7 18.1 1.0
SG A:CYS291 4.7 22.4 1.0
N33 A:PTE609 4.7 18.5 1.0
NE A:ARG76 4.7 30.3 1.0
CZ A:ARG76 4.7 30.3 1.0
SG A:CYS288 4.8 21.6 1.0
CA A:CYS494 4.8 22.2 1.0
C34 A:PTE609 4.8 19.1 1.0

Iron binding site 4 out of 9 in 1aor

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Iron binding site 4 out of 9 in the Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe608

b:21.3
occ:1.00
FE3 A:SF4608 0.0 21.3 1.0
S4 A:SF4608 2.3 17.4 1.0
S2 A:SF4608 2.3 23.8 1.0
S1 A:SF4608 2.3 17.6 1.0
SG A:CYS291 2.3 22.4 1.0
FE1 A:SF4608 2.5 24.1 1.0
FE2 A:SF4608 2.6 19.6 1.0
FE4 A:SF4608 2.6 20.7 1.0
CB A:CYS291 3.3 19.7 1.0
S3 A:SF4608 3.8 23.5 1.0
OG1 A:THR73 4.0 24.8 1.0
N A:GLY294 4.1 20.4 1.0
CB A:ILE293 4.3 20.6 1.0
N A:CYS288 4.5 21.1 1.0
SG A:CYS288 4.5 21.6 1.0
N A:CYS295 4.6 21.0 1.0
SG A:CYS494 4.7 17.7 1.0
CA A:CYS291 4.7 22.9 1.0
CB A:CYS288 4.7 22.7 1.0
CA A:GLY294 4.8 19.4 1.0
SG A:CYS295 4.8 18.1 1.0
CG2 A:ILE293 4.9 18.9 1.0
CA A:ILE293 5.0 22.3 1.0
C A:ILE293 5.0 22.7 1.0
CD1 A:ILE293 5.0 16.9 1.0

Iron binding site 5 out of 9 in 1aor

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Iron binding site 5 out of 9 in the Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe608

b:20.7
occ:1.00
FE4 A:SF4608 0.0 20.7 1.0
S1 A:SF4608 2.3 17.6 1.0
S2 A:SF4608 2.3 23.8 1.0
SG A:CYS295 2.3 18.1 1.0
S3 A:SF4608 2.3 23.5 1.0
FE3 A:SF4608 2.6 21.3 1.0
FE2 A:SF4608 2.6 19.6 1.0
FE1 A:SF4608 2.6 24.1 1.0
CB A:CYS295 3.5 18.5 1.0
N A:CYS295 3.8 21.0 1.0
S4 A:SF4608 3.8 17.4 1.0
CD2 A:PHE496 4.0 21.9 1.0
CA A:CYS295 4.1 17.8 1.0
O A:HOH5024 4.1 17.5 1.0
CE2 A:PHE496 4.3 22.4 1.0
N A:GLY296 4.5 17.7 1.0
C A:CYS295 4.6 18.8 1.0
SG A:CYS291 4.7 22.4 1.0
SG A:CYS494 4.7 17.7 1.0
SG A:CYS288 4.8 21.6 1.0
C A:GLY294 5.0 20.5 1.0

Iron binding site 6 out of 9 in 1aor

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Iron binding site 6 out of 9 in the Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe607

b:22.6
occ:1.00
FE1 B:SF4607 0.0 22.6 1.0
S4 B:SF4607 2.3 23.2 1.0
SG B:CYS288 2.3 20.5 1.0
S2 B:SF4607 2.3 18.2 1.0
S3 B:SF4607 2.3 19.3 1.0
FE3 B:SF4607 2.6 21.4 1.0
FE2 B:SF4607 2.7 21.8 1.0
FE4 B:SF4607 2.7 20.0 1.0
CB B:CYS288 3.3 25.1 1.0
S1 B:SF4607 3.9 20.7 1.0
NH2 B:ARG76 4.0 21.2 1.0
N B:CYS288 4.0 26.4 1.0
NH1 B:ARG182 4.2 15.7 1.0
CA B:CYS288 4.3 26.3 1.0
SG B:CYS291 4.6 22.4 1.0
SG B:CYS494 4.7 20.3 1.0
SG B:CYS295 4.7 20.6 1.0
O B:HOH5034 4.8 18.5 1.0
CZ B:ARG182 4.8 16.3 1.0
NE B:ARG76 4.9 21.9 1.0
CZ B:ARG76 4.9 19.4 1.0
CB B:CYS291 4.9 23.7 1.0

Iron binding site 7 out of 9 in 1aor

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Iron binding site 7 out of 9 in the Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe607

b:21.8
occ:1.00
FE2 B:SF4607 0.0 21.8 1.0
S4 B:SF4607 2.3 23.2 1.0
SG B:CYS494 2.3 20.3 1.0
S3 B:SF4607 2.3 19.3 1.0
S1 B:SF4607 2.3 20.7 1.0
FE3 B:SF4607 2.6 21.4 1.0
FE4 B:SF4607 2.6 20.0 1.0
FE1 B:SF4607 2.7 22.6 1.0
CB B:CYS494 3.3 22.0 1.0
S2 B:SF4607 3.9 18.2 1.0
CD2 B:PHE496 4.0 14.9 1.0
NH2 B:ARG76 4.4 21.2 1.0
N33 B:PTE608 4.6 22.5 1.0
CG B:PHE496 4.6 17.8 1.0
CB B:PHE496 4.7 19.8 1.0
SG B:CYS291 4.7 22.4 1.0
NE B:ARG76 4.7 21.9 1.0
CE2 B:PHE496 4.7 14.5 1.0
SG B:CYS295 4.7 20.6 1.0
C34 B:PTE608 4.7 22.2 1.0
CA B:CYS494 4.7 21.8 1.0
SG B:CYS288 4.8 20.5 1.0
CZ B:ARG76 4.8 19.4 1.0
CG2 B:THR73 4.9 17.8 1.0
O22 B:PTE608 5.0 21.6 1.0

Iron binding site 8 out of 9 in 1aor

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Iron binding site 8 out of 9 in the Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe607

b:21.4
occ:1.00
FE3 B:SF4607 0.0 21.4 1.0
S2 B:SF4607 2.3 18.2 1.0
S4 B:SF4607 2.3 23.2 1.0
S1 B:SF4607 2.3 20.7 1.0
SG B:CYS291 2.3 22.4 1.0
FE1 B:SF4607 2.6 22.6 1.0
FE2 B:SF4607 2.6 21.8 1.0
FE4 B:SF4607 2.6 20.0 1.0
CB B:CYS291 3.3 23.7 1.0
S3 B:SF4607 3.8 19.3 1.0
CB B:ILE293 4.3 21.6 1.0
N B:GLY294 4.3 25.1 1.0
CG2 B:THR73 4.5 17.8 1.0
SG B:CYS288 4.5 20.5 1.0
N B:CYS288 4.5 26.4 1.0
N B:CYS295 4.6 23.2 1.0
SG B:CYS494 4.6 20.3 1.0
CB B:CYS288 4.7 25.1 1.0
CA B:CYS291 4.7 25.4 1.0
SG B:CYS295 4.8 20.6 1.0
CD1 B:ILE293 4.9 20.3 1.0
CG2 B:ILE293 4.9 21.6 1.0
CA B:GLY294 4.9 23.3 1.0

Iron binding site 9 out of 9 in 1aor

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Iron binding site 9 out of 9 in the Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe607

b:20.0
occ:1.00
FE4 B:SF4607 0.0 20.0 1.0
S1 B:SF4607 2.3 20.7 1.0
S3 B:SF4607 2.3 19.3 1.0
SG B:CYS295 2.3 20.6 1.0
S2 B:SF4607 2.3 18.2 1.0
FE3 B:SF4607 2.6 21.4 1.0
FE2 B:SF4607 2.6 21.8 1.0
FE1 B:SF4607 2.7 22.6 1.0
CB B:CYS295 3.4 18.9 1.0
N B:CYS295 3.8 23.2 1.0
S4 B:SF4607 3.9 23.2 1.0
CA B:CYS295 4.1 22.3 1.0
O B:HOH5034 4.1 18.5 1.0
CD2 B:PHE496 4.2 14.9 1.0
N B:GLY296 4.4 17.9 1.0
CE2 B:PHE496 4.4 14.5 1.0
C B:CYS295 4.5 20.5 1.0
SG B:CYS494 4.7 20.3 1.0
SG B:CYS291 4.7 22.4 1.0
SG B:CYS288 4.8 20.5 1.0

Reference:

M.K.Chan, S.Mukund, A.Kletzin, M.W.Adams, D.C.Rees. Structure of A Hyperthermophilic Tungstopterin Enzyme, Aldehyde Ferredoxin Oxidoreductase. Science V. 267 1463 1995.
ISSN: ISSN 0036-8075
PubMed: 7878465
Page generated: Sun Dec 13 14:05:54 2020

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