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Iron in PDB 6y8s: Crystal Structure of the Quaternary Ammonium Rieske Monooxygenase Cnta in Complex with Substrate Gamma-Butyrobetaine

Enzymatic activity of Crystal Structure of the Quaternary Ammonium Rieske Monooxygenase Cnta in Complex with Substrate Gamma-Butyrobetaine

All present enzymatic activity of Crystal Structure of the Quaternary Ammonium Rieske Monooxygenase Cnta in Complex with Substrate Gamma-Butyrobetaine:
1.14.13.239;

Protein crystallography data

The structure of Crystal Structure of the Quaternary Ammonium Rieske Monooxygenase Cnta in Complex with Substrate Gamma-Butyrobetaine, PDB code: 6y8s 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) 39.78 / 1.63
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 91.160, 91.160, 81.470, 90.00, 90.00, 120.00
R / Rfree (%) 17 / 19.3

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the Quaternary Ammonium Rieske Monooxygenase Cnta in Complex with Substrate Gamma-Butyrobetaine (pdb code 6y8s). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of the Quaternary Ammonium Rieske Monooxygenase Cnta in Complex with Substrate Gamma-Butyrobetaine, PDB code: 6y8s:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 6y8s

Go back to Iron Binding Sites List in 6y8s
Iron binding site 1 out of 3 in the Crystal Structure of the Quaternary Ammonium Rieske Monooxygenase Cnta in Complex with Substrate Gamma-Butyrobetaine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Quaternary Ammonium Rieske Monooxygenase Cnta in Complex with Substrate Gamma-Butyrobetaine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:0.4
occ:1.00
 NE2 A:HIS208 2.2 65.8 1.0
O A:HOH695 2.2 30.0 1.0
NE2 A:HIS213 2.3 0.9 1.0
OD2 A:ASP323 2.6 0.3 1.0
OD1 A:ASP323 2.8 96.5 1.0
CG A:ASP323 3.0 85.1 1.0
CE1 A:HIS208 3.1 62.6 1.0
CD2 A:HIS213 3.2 0.5 1.0
CE1 A:HIS213 3.3 0.3 1.0
CD2 A:HIS208 3.3 67.0 1.0
OD1 A:ASN202 4.2 36.9 1.0
ND1 A:HIS208 4.2 62.5 1.0
O A:HOH690 4.3 41.3 1.0
CZ A:PHE319 4.4 73.1 1.0
ND1 A:HIS213 4.4 0.5 1.0
CG A:HIS213 4.4 1.0 1.0
CG A:HIS208 4.4 63.0 1.0
CB A:ASP323 4.5 50.4 1.0
C2 A:NM2405 4.6 56.8 1.0
ND2 A:ASN202 4.6 29.0 1.0
CG A:ASN202 4.8 32.3 1.0
O A:ASN202 4.9 26.0 1.0
CE2 A:PHE319 4.9 76.3 1.0
CE1 A:PHE319 5.0 66.4 1.0

Iron binding site 2 out of 3 in 6y8s

Go back to Iron Binding Sites List in 6y8s
Iron binding site 2 out of 3 in the Crystal Structure of the Quaternary Ammonium Rieske Monooxygenase Cnta in Complex with Substrate Gamma-Butyrobetaine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Quaternary Ammonium Rieske Monooxygenase Cnta in Complex with Substrate Gamma-Butyrobetaine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:24.6
occ:1.00
 FE1 A:FES402 0.0 24.6 1.0
S2 A:FES402 2.2 26.5 1.0
S1 A:FES402 2.2 25.0 1.0
SG A:CYS106 2.2 25.3 1.0
SG A:CYS86 2.3 24.5 1.0
FE2 A:FES402 2.7 26.1 1.0
CB A:CYS86 3.0 22.8 1.0
CB A:CYS106 3.1 26.8 1.0
CB A:HIS88 4.0 25.0 1.0
CB A:TYR108 4.3 28.5 1.0
N A:HIS109 4.4 29.0 1.0
CA A:CYS86 4.5 23.0 1.0
ND1 A:HIS88 4.5 29.2 1.0
CB A:HIS91 4.6 24.4 1.0
CA A:CYS106 4.6 24.3 1.0
ND1 A:HIS109 4.7 27.6 1.0
N A:ARG89 4.7 26.4 1.0
CG A:HIS88 4.8 28.3 1.0
N A:HIS88 4.8 25.7 1.0
CB A:TRP111 4.8 31.4 1.0
N A:TYR108 4.9 27.0 1.0
CA A:HIS88 4.9 26.5 1.0
C A:CYS86 4.9 22.6 1.0
N A:HIS91 5.0 23.2 1.0
CG A:TRP111 5.0 28.6 1.0

Iron binding site 3 out of 3 in 6y8s

Go back to Iron Binding Sites List in 6y8s
Iron binding site 3 out of 3 in the Crystal Structure of the Quaternary Ammonium Rieske Monooxygenase Cnta in Complex with Substrate Gamma-Butyrobetaine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the Quaternary Ammonium Rieske Monooxygenase Cnta in Complex with Substrate Gamma-Butyrobetaine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:26.1
occ:1.00
 FE2 A:FES402 0.0 26.1 1.0
S1 A:FES402 2.2 25.0 1.0
S2 A:FES402 2.2 26.5 1.0
ND1 A:HIS109 2.2 27.6 1.0
ND1 A:HIS88 2.3 29.2 1.0
FE1 A:FES402 2.7 24.6 1.0
CG A:HIS88 3.2 28.3 1.0
CE1 A:HIS109 3.2 30.7 1.0
CG A:HIS109 3.2 27.0 1.0
CE1 A:HIS88 3.2 30.1 1.0
CB A:HIS88 3.4 25.0 1.0
CB A:HIS109 3.5 31.6 1.0
N A:HIS109 3.7 29.0 1.0
CB A:TYR108 4.0 28.5 1.0
CA A:HIS109 4.1 28.8 1.0
N A:ARG89 4.1 26.4 1.0
NE2 A:HIS109 4.3 28.5 1.0
CD2 A:HIS88 4.3 32.1 1.0
NE2 A:HIS88 4.3 31.3 1.0
CD2 A:HIS109 4.3 31.5 1.0
CG A:TYR108 4.4 24.6 1.0
SG A:CYS106 4.4 25.3 1.0
CD2 A:TYR108 4.4 25.7 1.0
SG A:CYS86 4.4 24.5 1.0
CB A:ARG89 4.6 29.2 1.0
CA A:HIS88 4.6 26.5 1.0
C A:TYR108 4.6 27.0 1.0
C A:HIS88 4.8 32.8 1.0
C A:HIS109 4.9 32.6 1.0
CA A:TYR108 4.9 26.5 1.0
CA A:ARG89 4.9 25.1 1.0

Reference:

M.Quareshy, M.Shanmugam, E.Townsend, E.Jameson, T.D.H.Bugg, A.D.Cameron, Y.Chen. Structural Basis of Carnitine Monooxygenase Cnta Substrate Specificity, Inhibition and Inter-Subunit Electron Transfer. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 33158989
DOI: 10.1074/JBC.RA120.016019
Page generated: Wed Aug 7 15:53:42 2024

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