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Iron in PDB 1g8j: Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis

Protein crystallography data

The structure of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis, PDB code: 1g8j was solved by P.J.Ellis, T.Conrads, R.Hille, P.Kuhn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.03
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 96.710, 114.250, 108.980, 90.00, 112.44, 90.00
R / Rfree (%) 19.3 / 22.3

Other elements in 1g8j:

The structure of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis also contains other interesting chemical elements:

Molybdenum (Mo) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis (pdb code 1g8j). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 10 binding sites of Iron where determined in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis, PDB code: 1g8j:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 10 in 1g8j

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Iron binding site 1 out of 10 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe2005

b:25.4
occ:1.00
 FE1 A:F3S2005 0.0 25.4 1.0
S2 A:F3S2005 2.0 20.5 1.0
S3 A:F3S2005 2.2 19.4 1.0
FE3 A:F3S2005 2.3 24.2 1.0
SG A:CYS21 2.3 19.9 1.0
S1 A:F3S2005 2.6 19.7 1.0
FE4 A:F3S2005 2.8 26.3 1.0
CB A:CYS21 3.0 18.2 1.0
S4 A:F3S2005 3.8 21.9 1.0
OG A:SER99 4.0 19.7 1.0
CA A:GLY102 4.2 21.3 1.0
N A:GLY102 4.3 19.8 1.0
SG A:CYS28 4.4 21.8 1.0
CB A:CYS28 4.4 17.9 1.0
CA A:CYS21 4.5 16.8 1.0
N A:CYS24 4.6 16.5 1.0
SG A:CYS24 4.8 19.8 1.0
N A:CYS28 4.8 16.1 1.0
OH A:TYR30 4.8 22.0 1.0
CB A:SER99 4.9 21.4 1.0
CB A:PHE23 5.0 19.5 1.0
O A:CYS24 5.0 22.3 1.0

Iron binding site 2 out of 10 in 1g8j

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Iron binding site 2 out of 10 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe2005

b:24.2
occ:1.00
 FE3 A:F3S2005 0.0 24.2 1.0
S3 A:F3S2005 2.0 19.4 1.0
S2 A:F3S2005 2.1 20.5 1.0
SG A:CYS28 2.2 21.8 1.0
FE1 A:F3S2005 2.3 25.4 1.0
S4 A:F3S2005 2.5 21.9 1.0
FE4 A:F3S2005 2.8 26.3 1.0
CB A:CYS28 3.0 17.9 1.0
ND2 A:ASN241 3.8 18.5 1.0
S1 A:F3S2005 3.9 19.7 1.0
N A:CYS28 3.9 16.1 1.0
CA A:CYS28 4.1 19.6 1.0
CB A:CYS21 4.3 18.2 1.0
OG A:SER99 4.3 19.7 1.0
SG A:CYS21 4.3 19.9 1.0
CB A:VAL26 4.3 17.1 1.0
CG1 A:VAL26 4.5 15.9 1.0
CB A:SER99 4.5 21.4 1.0
CG A:ASN241 4.5 22.1 1.0
CB A:ASN241 4.6 22.4 1.0
N A:SER99 4.8 24.1 1.0
SG A:CYS24 4.8 19.8 1.0
N A:GLY27 4.8 17.5 1.0
OH A:TYR30 4.9 22.0 1.0

Iron binding site 3 out of 10 in 1g8j

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Iron binding site 3 out of 10 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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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 Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe2005

b:26.3
occ:1.00
 FE4 A:F3S2005 0.0 26.3 1.0
S1 A:F3S2005 2.2 19.7 1.0
SG A:CYS24 2.2 19.8 1.0
S4 A:F3S2005 2.2 21.9 1.0
S2 A:F3S2005 2.4 20.5 1.0
FE1 A:F3S2005 2.8 25.4 1.0
FE3 A:F3S2005 2.8 24.2 1.0
CB A:CYS24 3.3 18.8 1.0
NH1 A:ARG101 3.9 24.4 1.0
S3 A:F3S2005 3.9 19.4 1.0
CB A:VAL26 4.0 17.1 1.0
CA A:CYS24 4.0 17.7 1.0
N A:CYS24 4.0 16.5 1.0
O A:CYS24 4.2 22.3 1.0
CG2 A:VAL26 4.2 14.2 1.0
C A:CYS24 4.3 20.2 1.0
OG A:SER99 4.3 19.7 1.0
N A:VAL26 4.6 16.8 1.0
SG A:CYS28 4.6 21.8 1.0
NE A:ARG101 4.7 23.6 1.0
CZ A:ARG101 4.8 22.8 1.0
SG A:CYS21 4.8 19.9 1.0
CA A:VAL26 4.8 18.4 1.0
CB A:SER99 4.9 21.4 1.0
N A:GLY27 4.9 17.5 1.0
CG1 A:VAL26 5.0 15.9 1.0

Iron binding site 4 out of 10 in 1g8j

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Iron binding site 4 out of 10 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe2006

b:34.0
occ:1.00
 FE1 B:FES2006 0.0 34.0 1.0
SG B:CYS60 2.1 23.6 1.0
S1 B:FES2006 2.2 29.3 1.0
SG B:CYS78 2.3 27.6 1.0
S2 B:FES2006 2.5 28.9 1.0
FE2 B:FES2006 2.7 35.8 1.0
CB B:CYS60 3.1 23.5 1.0
CB B:CYS78 3.2 27.8 1.0
CB B:HIS62 3.9 17.1 1.0
ND1 B:HIS81 4.2 26.9 1.0
ND1 B:HIS62 4.3 17.4 1.0
CA B:CYS60 4.5 25.1 1.0
CB B:CYS80 4.5 23.7 1.0
N B:HIS81 4.5 21.9 1.0
CB B:THR83 4.6 21.2 1.0
CB B:CYS65 4.6 25.3 1.0
CG B:HIS62 4.6 14.5 1.0
OG1 B:THR83 4.6 22.0 1.0
N B:MET63 4.6 24.8 1.0
CA B:CYS78 4.6 26.1 1.0
N B:HIS62 4.9 25.5 1.0
CA B:HIS62 4.9 23.1 1.0
C B:CYS60 5.0 26.7 1.0

Iron binding site 5 out of 10 in 1g8j

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Iron binding site 5 out of 10 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe2006

b:35.8
occ:1.00
 FE2 B:FES2006 0.0 35.8 1.0
ND1 B:HIS81 1.9 26.9 1.0
ND1 B:HIS62 2.1 17.4 1.0
S2 B:FES2006 2.3 28.9 1.0
S1 B:FES2006 2.4 29.3 1.0
FE1 B:FES2006 2.7 34.0 1.0
CE1 B:HIS81 2.8 29.9 1.0
CG B:HIS81 2.9 28.4 1.0
CG B:HIS62 3.0 14.5 1.0
CE1 B:HIS62 3.1 13.4 1.0
CB B:HIS62 3.3 17.1 1.0
CB B:HIS81 3.4 24.1 1.0
N B:HIS81 3.9 21.9 1.0
NE2 B:HIS81 3.9 29.4 1.0
CD2 B:HIS81 4.0 27.0 1.0
N B:MET63 4.2 24.8 1.0
CD2 B:HIS62 4.2 11.9 1.0
CA B:HIS81 4.2 23.6 1.0
NE2 B:HIS62 4.2 13.1 1.0
SG B:CYS60 4.3 23.6 1.0
CB B:CYS80 4.3 23.7 1.0
CB B:MET63 4.3 25.6 1.0
CG B:MET63 4.4 26.5 1.0
SG B:CYS78 4.4 27.6 1.0
CA B:HIS62 4.6 23.1 1.0
C B:CYS80 4.6 21.2 1.0
C B:HIS62 4.6 24.8 1.0
CA B:MET63 4.9 25.0 1.0
OG1 B:THR83 4.9 22.0 1.0
SD B:MET63 4.9 30.5 1.0
C B:HIS81 5.0 23.9 1.0

Iron binding site 6 out of 10 in 1g8j

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Iron binding site 6 out of 10 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe3005

b:30.5
occ:1.00
 FE1 C:F3S3005 0.0 30.5 1.0
S1 C:F3S3005 2.0 22.3 1.0
S2 C:F3S3005 2.2 24.2 1.0
FE4 C:F3S3005 2.4 30.5 1.0
S3 C:F3S3005 2.5 23.3 1.0
SG C:CYS21 2.5 20.5 1.0
FE3 C:F3S3005 2.8 31.1 1.0
CB C:CYS21 3.2 18.8 1.0
OG C:SER99 3.8 20.8 1.0
S4 C:F3S3005 3.9 24.9 1.0
CA C:GLY102 4.2 21.2 1.0
N C:GLY102 4.2 19.3 1.0
N C:CYS24 4.4 24.3 1.0
SG C:CYS24 4.6 21.9 1.0
SG C:CYS28 4.6 21.7 1.0
CB C:PHE23 4.7 23.4 1.0
CA C:CYS21 4.7 20.0 1.0
CB C:SER99 4.8 22.7 1.0
O C:CYS24 4.8 23.0 1.0
CB C:CYS28 4.8 23.2 1.0
CB C:CYS24 4.9 23.2 1.0
N C:PHE23 4.9 24.3 1.0
C C:PHE23 5.0 24.8 1.0
CA C:CYS24 5.0 22.1 1.0
CD2 C:PHE23 5.0 24.5 1.0

Iron binding site 7 out of 10 in 1g8j

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Iron binding site 7 out of 10 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe3005

b:31.1
occ:1.00
 FE3 C:F3S3005 0.0 31.1 1.0
SG C:CYS28 2.1 21.7 1.0
S3 C:F3S3005 2.2 23.3 1.0
S4 C:F3S3005 2.3 24.9 1.0
S2 C:F3S3005 2.5 24.2 1.0
FE1 C:F3S3005 2.8 30.5 1.0
FE4 C:F3S3005 2.9 30.5 1.0
CB C:CYS28 3.1 23.2 1.0
ND2 C:ASN241 3.2 24.2 1.0
CG C:ASN241 3.9 25.6 1.0
S1 C:F3S3005 4.0 22.3 1.0
CB C:ASN241 4.1 23.1 1.0
N C:CYS28 4.1 24.0 1.0
CB C:VAL26 4.2 19.8 1.0
CA C:CYS28 4.3 24.2 1.0
CG1 C:VAL26 4.3 20.0 1.0
OG C:SER99 4.3 20.8 1.0
CB C:SER99 4.4 22.7 1.0
N C:SER99 4.6 23.3 1.0
CB C:CYS21 4.8 18.8 1.0
OD1 C:ASN241 4.8 26.9 1.0
SG C:CYS24 4.9 21.9 1.0
N C:ASN241 4.9 21.6 1.0
SG C:CYS21 4.9 20.5 1.0
CG2 C:VAL26 4.9 18.1 1.0

Iron binding site 8 out of 10 in 1g8j

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Iron binding site 8 out of 10 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe3005

b:30.5
occ:1.00
 FE4 C:F3S3005 0.0 30.5 1.0
S2 C:F3S3005 2.1 24.2 1.0
S1 C:F3S3005 2.1 22.3 1.0
SG C:CYS24 2.3 21.9 1.0
FE1 C:F3S3005 2.4 30.5 1.0
S4 C:F3S3005 2.6 24.9 1.0
FE3 C:F3S3005 2.9 31.1 1.0
CB C:CYS24 3.1 23.2 1.0
CA C:CYS24 3.7 22.1 1.0
O C:CYS24 3.8 23.0 1.0
N C:CYS24 3.8 24.3 1.0
C C:CYS24 4.0 22.4 1.0
S3 C:F3S3005 4.0 23.3 1.0
CB C:VAL26 4.0 19.8 1.0
NH2 C:ARG101 4.2 20.2 1.0
CG2 C:VAL26 4.3 18.1 1.0
OG C:SER99 4.5 20.8 1.0
N C:VAL26 4.5 22.7 1.0
SG C:CYS21 4.6 20.5 1.0
SG C:CYS28 4.7 21.7 1.0
NE C:ARG101 4.8 20.1 1.0
CA C:VAL26 4.8 21.2 1.0
N C:GLY27 4.8 21.9 1.0
C C:PHE23 4.9 24.8 1.0
N C:ILE25 4.9 21.9 1.0
CZ C:ARG101 5.0 21.8 1.0
CB C:SER99 5.0 22.7 1.0

Iron binding site 9 out of 10 in 1g8j

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Iron binding site 9 out of 10 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe3006

b:33.4
occ:1.00
 FE1 D:FES3006 0.0 33.4 1.0
S2 D:FES3006 2.1 26.3 1.0
SG D:CYS60 2.1 26.8 1.0
SG D:CYS78 2.3 26.8 1.0
S1 D:FES3006 2.4 27.9 1.0
FE2 D:FES3006 2.8 32.2 1.0
CB D:CYS60 2.8 27.8 1.0
CB D:CYS78 3.4 27.0 1.0
CB D:HIS62 3.8 28.3 1.0
CA D:CYS60 4.3 27.2 1.0
ND1 D:HIS81 4.3 14.0 1.0
ND1 D:HIS62 4.3 29.6 1.0
CB D:CYS65 4.4 30.1 1.0
N D:MET63 4.4 29.4 1.0
CG D:HIS62 4.6 28.8 1.0
CB D:CYS80 4.6 27.9 1.0
C D:CYS60 4.7 25.5 1.0
N D:HIS62 4.7 28.5 1.0
N D:CYS65 4.7 32.0 1.0
N D:HIS81 4.8 26.4 1.0
CA D:CYS78 4.8 27.4 1.0
OG1 D:THR83 4.8 26.7 1.0
CA D:HIS62 4.8 28.4 1.0
O D:CYS60 4.8 25.3 1.0
O D:CYS65 4.9 29.3 1.0
CB D:THR83 4.9 26.9 1.0

Iron binding site 10 out of 10 in 1g8j

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Iron binding site 10 out of 10 in the Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis


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A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure Analysis of Arsenite Oxidase From Alcaligenes Faecalis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe3006

b:32.2
occ:1.00
 FE2 D:FES3006 0.0 32.2 1.0
ND1 D:HIS81 1.8 14.0 1.0
ND1 D:HIS62 2.2 29.6 1.0
S1 D:FES3006 2.3 27.9 1.0
S2 D:FES3006 2.5 26.3 1.0
CG D:HIS81 2.7 18.9 1.0
FE1 D:FES3006 2.8 33.4 1.0
CE1 D:HIS81 2.9 15.1 1.0
CB D:HIS81 3.0 23.1 1.0
CE1 D:HIS62 3.2 27.5 1.0
CG D:HIS62 3.2 28.8 1.0
CB D:HIS62 3.5 28.3 1.0
N D:HIS81 3.8 26.4 1.0
CD2 D:HIS81 3.9 17.5 1.0
NE2 D:HIS81 3.9 15.2 1.0
CA D:HIS81 4.0 26.1 1.0
NE2 D:HIS62 4.3 26.9 1.0
N D:MET63 4.3 29.4 1.0
CD2 D:HIS62 4.3 26.9 1.0
CB D:CYS80 4.3 27.9 1.0
SG D:CYS78 4.4 26.8 1.0
SG D:CYS60 4.4 26.8 1.0
CB D:MET63 4.4 29.6 1.0
C D:CYS80 4.5 26.8 1.0
CG D:MET63 4.6 28.3 1.0
CA D:HIS62 4.8 28.4 1.0
C D:HIS81 4.8 28.1 1.0
OG1 D:THR83 4.8 26.7 1.0
C D:HIS62 4.8 29.5 1.0
SD D:MET63 5.0 28.6 1.0
CA D:MET63 5.0 29.4 1.0

Reference:

P.J.Ellis, T.Conrads, R.Hille, P.Kuhn. Crystal Structure of the 100 kDa Arsenite Oxidase From Alcaligenes Faecalis in Two Crystal Forms at 1.64 A and 2.03 A. Structure V. 9 125 2001.
ISSN: ISSN 0969-2126
PubMed: 11250197
DOI: 10.1016/S0969-2126(01)00566-4
Page generated: Sat Aug 3 05:46:11 2024

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