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: Sun Dec 13 17:31:18 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy