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Iron in PDB 6y9c: The Structure of A Quaternary Ammonium Rieske Monooxygenase Reveals Insights Into Carnitine Oxidation By Gut Microbiota and Inter-Subunit Electron Transfer

Enzymatic activity of The Structure of A Quaternary Ammonium Rieske Monooxygenase Reveals Insights Into Carnitine Oxidation By Gut Microbiota and Inter-Subunit Electron Transfer

All present enzymatic activity of The Structure of A Quaternary Ammonium Rieske Monooxygenase Reveals Insights Into Carnitine Oxidation By Gut Microbiota and Inter-Subunit Electron Transfer:
1.14.13.239;

Protein crystallography data

The structure of The Structure of A Quaternary Ammonium Rieske Monooxygenase Reveals Insights Into Carnitine Oxidation By Gut Microbiota and Inter-Subunit Electron Transfer, PDB code: 6y9c was solved by M.Quareshy, M.Shanmugam, T.D.Bugg, A.Cameron, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.23 / 1.80
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 91.242, 91.242, 87.366, 90, 90, 120
R / Rfree (%) 24.6 / 29.2

Iron Binding Sites:

The binding sites of Iron atom in the The Structure of A Quaternary Ammonium Rieske Monooxygenase Reveals Insights Into Carnitine Oxidation By Gut Microbiota and Inter-Subunit Electron Transfer (pdb code 6y9c). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the The Structure of A Quaternary Ammonium Rieske Monooxygenase Reveals Insights Into Carnitine Oxidation By Gut Microbiota and Inter-Subunit Electron Transfer, PDB code: 6y9c:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 6y9c

Go back to Iron Binding Sites List in 6y9c
Iron binding site 1 out of 3 in the The Structure of A Quaternary Ammonium Rieske Monooxygenase Reveals Insights Into Carnitine Oxidation By Gut Microbiota and Inter-Subunit Electron Transfer


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 A Quaternary Ammonium Rieske Monooxygenase Reveals Insights Into Carnitine Oxidation By Gut Microbiota and Inter-Subunit Electron Transfer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:41.1
occ:1.00
 N A:SCN403 2.2 34.6 1.0
OD1 A:ASP323 2.3 38.8 1.0
O A:HOH517 2.3 40.4 1.0
NE2 A:HIS208 2.4 44.6 1.0
OD2 A:ASP323 2.5 37.0 1.0
NE2 A:HIS213 2.6 69.2 1.0
CG A:ASP323 2.7 37.2 1.0
C A:SCN403 2.8 55.2 1.0
CD2 A:HIS213 3.0 72.3 1.0
CD2 A:HIS208 3.3 47.7 1.0
CE1 A:HIS208 3.4 43.2 1.0
CE1 A:HIS213 3.7 70.2 1.0
H41 A:152402 4.0 50.1 1.0
S A:SCN403 4.2 61.8 1.0
OD1 A:ASN202 4.2 39.7 1.0
CB A:ASP323 4.3 27.1 1.0
CG A:HIS213 4.3 71.4 1.0
H21 A:152402 4.3 44.2 1.0
ND2 A:ASN202 4.4 42.5 1.0
CG A:HIS208 4.5 46.5 1.0
O A:HOH576 4.5 28.7 1.0
ND1 A:HIS208 4.5 44.4 1.0
ND1 A:HIS213 4.6 71.5 1.0
O A:ASN202 4.6 26.2 1.0
CG A:ASN202 4.7 37.0 1.0
CE1 A:PHE319 4.7 47.6 1.0
H5C1 A:152402 4.7 53.3 1.0
C4 A:152402 5.0 41.6 1.0
CA A:ASP323 5.0 27.6 1.0
CZ A:PHE319 5.0 46.2 1.0
CD1 A:LEU326 5.0 27.7 1.0

Iron binding site 2 out of 3 in 6y9c

Go back to Iron Binding Sites List in 6y9c
Iron binding site 2 out of 3 in the The Structure of A Quaternary Ammonium Rieske Monooxygenase Reveals Insights Into Carnitine Oxidation By Gut Microbiota and Inter-Subunit Electron Transfer


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 A Quaternary Ammonium Rieske Monooxygenase Reveals Insights Into Carnitine Oxidation By Gut Microbiota and Inter-Subunit Electron Transfer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe404

b:20.6
occ:1.00
 FE1 A:FES404 0.0 20.6 1.0
S2 A:FES404 2.2 30.9 1.0
SG A:CYS106 2.2 36.3 1.0
S1 A:FES404 2.3 27.7 1.0
SG A:CYS86 2.3 87.4 1.0
FE2 A:FES404 2.8 31.8 1.0
CB A:CYS86 2.8 60.4 1.0
CB A:CYS106 3.1 26.9 1.0
CB A:HIS88 4.3 27.5 1.0
CA A:CYS86 4.3 36.5 1.0
CB A:HIS91 4.5 29.2 1.0
CB A:TYR108 4.5 31.1 1.0
ND1 A:HIS88 4.5 32.4 1.0
CA A:CYS106 4.5 29.9 1.0
N A:ARG89 4.7 26.3 1.0
N A:HIS109 4.7 32.9 1.0
CB A:TRP111 4.8 38.2 1.0
N A:HIS88 4.9 30.0 1.0
C A:CYS86 4.9 30.1 1.0
N A:HIS91 4.9 26.6 1.0
CG A:HIS88 4.9 31.4 1.0
C A:CYS106 5.0 35.3 1.0

Iron binding site 3 out of 3 in 6y9c

Go back to Iron Binding Sites List in 6y9c
Iron binding site 3 out of 3 in the The Structure of A Quaternary Ammonium Rieske Monooxygenase Reveals Insights Into Carnitine Oxidation By Gut Microbiota and Inter-Subunit Electron Transfer


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 A Quaternary Ammonium Rieske Monooxygenase Reveals Insights Into Carnitine Oxidation By Gut Microbiota and Inter-Subunit Electron Transfer within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe404

b:31.8
occ:1.00
 FE2 A:FES404 0.0 31.8 1.0
S2 A:FES404 2.2 30.9 1.0
ND1 A:HIS88 2.2 32.4 1.0
S1 A:FES404 2.3 27.7 1.0
ND1 A:HIS109 2.5 27.9 1.0
FE1 A:FES404 2.8 20.6 1.0
CE1 A:HIS88 3.1 31.2 1.0
CB A:HIS109 3.2 31.4 1.0
CG A:HIS88 3.2 31.4 1.0
CG A:HIS109 3.2 32.4 1.0
CB A:HIS88 3.5 27.5 1.0
CE1 A:HIS109 3.6 29.6 1.0
N A:HIS109 3.8 32.9 1.0
CG A:ARG89 4.0 48.1 1.0
N A:ARG89 4.0 26.3 1.0
CA A:HIS109 4.1 31.8 1.0
CB A:TYR108 4.1 31.1 1.0
CB A:ARG89 4.1 40.8 1.0
SG A:CYS106 4.2 36.3 1.0
NE2 A:HIS88 4.2 29.5 1.0
SG A:CYS86 4.2 87.4 1.0
CD2 A:HIS88 4.3 30.2 1.0
CD2 A:HIS109 4.5 29.4 1.0
CD2 A:TYR108 4.5 30.0 1.0
CG A:TYR108 4.5 30.2 1.0
NE2 A:HIS109 4.6 33.3 1.0
CA A:HIS88 4.6 28.2 1.0
CA A:ARG89 4.7 29.4 1.0
C A:HIS88 4.7 34.7 1.0
C A:TYR108 4.7 32.1 1.0
C A:HIS109 4.9 29.6 1.0
CD1 A:TRP111 5.0 34.2 1.0

Reference:

M.Quareshy, M.Shanmugam, T.D.Bugg, A.Cameron, Y.Chen. The Structure of A Quaternary Ammonium Rieske Monooxygenase Reveals Insights Into Carnitine Oxidation By Gut Microbiota and Inter-Subunit Electron Transfer To Be Published.
Page generated: Wed Aug 7 15:54:08 2024

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