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Iron in PDB 3zwu: Pseudomonas Fluorescens Phox in Complex with Vanadate, A Transition State Analogue

Enzymatic activity of Pseudomonas Fluorescens Phox in Complex with Vanadate, A Transition State Analogue

All present enzymatic activity of Pseudomonas Fluorescens Phox in Complex with Vanadate, A Transition State Analogue:
3.1.3.1;

Protein crystallography data

The structure of Pseudomonas Fluorescens Phox in Complex with Vanadate, A Transition State Analogue, PDB code: 3zwu was solved by S.C.Yong, P.Roversi, J.E.D.Lillington, O.B.Zeldin, E.F.Garman, S.M.Lea, B.C.Berks, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.42 / 1.39
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 68.790, 71.470, 227.830, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 17.13

Other elements in 3zwu:

The structure of Pseudomonas Fluorescens Phox in Complex with Vanadate, A Transition State Analogue also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms
Calcium (Ca) 6 atoms
Vanadium (V) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Pseudomonas Fluorescens Phox in Complex with Vanadate, A Transition State Analogue (pdb code 3zwu). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Pseudomonas Fluorescens Phox in Complex with Vanadate, A Transition State Analogue, PDB code: 3zwu:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 3zwu

Go back to Iron Binding Sites List in 3zwu
Iron binding site 1 out of 4 in the Pseudomonas Fluorescens Phox in Complex with Vanadate, A Transition State Analogue


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Pseudomonas Fluorescens Phox in Complex with Vanadate, A Transition State Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1594

b:9.8
occ:0.97
 FE1 A:FEO1594 0.0 9.8 1.0
O A:FEO1594 2.0 8.8 1.0
OE2 A:GLU90 2.0 9.2 1.0
OE1 A:GLU194 2.0 10.1 1.0
O3 A:VO4700 2.1 9.0 0.7
O A:HOH2196 2.2 11.1 1.0
SG A:CYS179 2.5 11.8 1.0
CD A:GLU194 3.0 14.6 1.0
CD A:GLU90 3.0 13.4 1.0
V A:VO4700 3.0 14.6 0.7
CB A:CYS179 3.4 8.2 1.0
OE2 A:GLU194 3.4 9.7 1.0
OE1 A:GLU90 3.4 10.8 1.0
FE2 A:FEO1594 3.5 10.0 1.0
CA A:CA1591 3.6 9.7 0.9
O2 A:VO4700 3.7 8.2 0.7
OD2 A:ASP69 3.9 11.3 1.0
O4 A:VO4700 3.9 12.3 0.7
O A:HOH2195 4.0 10.8 1.0
O A:HOH2244 4.0 11.3 1.0
O A:HOH2246 4.1 13.6 1.0
OE2 A:GLU273 4.1 9.6 1.0
CA A:CYS179 4.2 8.2 1.0
OE1 A:GLU273 4.3 10.1 1.0
CG A:GLU194 4.3 11.0 1.0
CG A:GLU90 4.3 9.7 1.0
O A:HOH2245 4.4 24.9 1.0
CD A:GLU273 4.5 10.1 1.0
O1 A:VO4700 4.5 12.0 0.7
CB A:GLU194 4.5 8.5 1.0
OD1 A:ASN195 4.7 18.5 1.0
OE2 A:GLU387 4.8 11.1 1.0
CG A:ASP69 4.9 9.7 1.0

Iron binding site 2 out of 4 in 3zwu

Go back to Iron Binding Sites List in 3zwu
Iron binding site 2 out of 4 in the Pseudomonas Fluorescens Phox in Complex with Vanadate, A Transition State Analogue


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Pseudomonas Fluorescens Phox in Complex with Vanadate, A Transition State Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1594

b:10.0
occ:1.00
 FE2 A:FEO1594 0.0 10.0 1.0
O A:FEO1594 1.9 8.8 1.0
OD2 A:ASP292 2.0 10.7 1.0
OE1 A:GLU273 2.0 10.1 1.0
OE2 A:GLU194 2.1 9.7 1.0
OE2 A:GLU387 2.1 11.1 1.0
O4 A:VO4700 2.2 12.3 0.7
CD A:GLU273 2.9 10.1 1.0
CG A:ASP292 3.0 12.8 1.0
CD A:GLU194 3.1 14.6 1.0
CD A:GLU387 3.2 16.0 1.0
V A:VO4700 3.2 14.6 0.7
OE2 A:GLU273 3.2 9.6 1.0
CB A:ASP292 3.4 8.8 1.0
OE1 A:GLU194 3.5 10.1 1.0
FE1 A:FEO1594 3.5 9.8 1.0
CG A:GLU387 3.6 11.0 1.0
CA A:CA1591 3.6 9.7 0.9
O2 A:VO4700 3.8 8.2 0.7
O3 A:VO4700 3.9 9.0 0.7
O A:HOH2481 4.1 24.7 1.0
CA A:CA1592 4.1 10.0 0.9
OD1 A:ASP292 4.1 12.5 1.0
SG A:CYS179 4.2 11.8 1.0
OE1 A:GLU387 4.2 11.2 1.0
NH2 A:ARG385 4.3 19.2 1.0
CG A:GLU273 4.3 10.4 1.0
CG A:GLU194 4.4 11.0 1.0
CB A:GLU387 4.6 8.2 1.0
O A:HOH2196 4.7 11.1 1.0
O1 A:VO4700 4.7 12.0 0.7
OD2 A:ASP479 4.8 10.3 1.0
CB A:GLU273 4.8 8.2 1.0
CA A:ASP292 4.9 7.9 1.0

Iron binding site 3 out of 4 in 3zwu

Go back to Iron Binding Sites List in 3zwu
Iron binding site 3 out of 4 in the Pseudomonas Fluorescens Phox in Complex with Vanadate, A Transition State Analogue


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Pseudomonas Fluorescens Phox in Complex with Vanadate, A Transition State Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1594

b:9.3
occ:1.00
 FE1 B:FEO1594 0.0 9.3 1.0
O B:FEO1594 1.9 9.9 1.0
OE2 B:GLU90 2.0 8.7 1.0
OE1 B:GLU194 2.0 9.2 1.0
O3 B:VO4700 2.1 8.2 0.7
O B:HOH2180 2.2 10.6 1.0
SG B:CYS179 2.5 11.3 1.0
CD B:GLU194 3.0 11.8 1.0
CD B:GLU90 3.0 11.3 1.0
V B:VO4700 3.1 13.3 0.7
CB B:CYS179 3.4 8.4 1.0
OE2 B:GLU194 3.4 10.2 1.0
OE1 B:GLU90 3.4 10.1 1.0
FE2 B:FEO1594 3.5 9.4 1.0
CA B:CA1591 3.6 10.1 1.0
O2 B:VO4700 3.8 9.8 0.7
OD2 B:ASP69 3.9 10.7 1.0
O4 B:VO4700 3.9 10.8 0.7
O B:HOH2213 4.0 10.4 1.0
O B:HOH2179 4.0 9.8 1.0
O B:HOH2214 4.1 13.5 1.0
CA B:CYS179 4.1 8.4 1.0
OE2 B:GLU273 4.1 10.0 1.0
OE1 B:GLU273 4.3 9.1 1.0
CG B:GLU194 4.3 9.4 1.0
CG B:GLU90 4.3 8.8 1.0
CD B:GLU273 4.5 9.1 1.0
O B:HOH2212 4.5 21.9 1.0
CB B:GLU194 4.5 7.5 1.0
O1 B:VO4700 4.5 11.0 0.7
OD1 B:ASN195 4.7 18.8 1.0
OE2 B:GLU387 4.8 9.7 1.0
CG B:ASP69 4.9 9.9 1.0
C B:CYS179 5.0 10.7 1.0

Iron binding site 4 out of 4 in 3zwu

Go back to Iron Binding Sites List in 3zwu
Iron binding site 4 out of 4 in the Pseudomonas Fluorescens Phox in Complex with Vanadate, A Transition State Analogue


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Pseudomonas Fluorescens Phox in Complex with Vanadate, A Transition State Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1594

b:9.4
occ:1.00
 FE2 B:FEO1594 0.0 9.4 1.0
O B:FEO1594 1.9 9.9 1.0
OD2 B:ASP292 2.0 10.5 1.0
OE1 B:GLU273 2.0 9.1 1.0
OE2 B:GLU194 2.1 10.2 1.0
OE2 B:GLU387 2.1 9.7 1.0
O4 B:VO4700 2.2 10.8 0.7
CD B:GLU273 2.9 9.1 1.0
CG B:ASP292 3.0 10.7 1.0
CD B:GLU194 3.1 11.8 1.0
CD B:GLU387 3.2 12.8 1.0
V B:VO4700 3.2 13.3 0.7
OE2 B:GLU273 3.2 10.0 1.0
CB B:ASP292 3.4 9.4 1.0
OE1 B:GLU194 3.5 9.2 1.0
FE1 B:FEO1594 3.5 9.3 1.0
CG B:GLU387 3.6 8.8 1.0
CA B:CA1591 3.6 10.1 1.0
O2 B:VO4700 3.8 9.8 0.7
O B:HOH2407 3.9 28.2 1.0
O3 B:VO4700 3.9 8.2 0.7
CA B:CA1592 4.1 10.6 1.0
OD1 B:ASP292 4.1 12.9 1.0
SG B:CYS179 4.2 11.3 1.0
OE1 B:GLU387 4.2 10.5 1.0
NH2 B:ARG385 4.3 17.2 1.0
CG B:GLU273 4.3 8.6 1.0
CG B:GLU194 4.4 9.4 1.0
CB B:GLU387 4.6 8.2 1.0
O B:HOH2180 4.6 10.6 1.0
O1 B:VO4700 4.7 11.0 0.7
OD2 B:ASP479 4.8 10.4 1.0
CB B:GLU273 4.8 7.7 1.0
CA B:ASP292 4.9 8.7 1.0

Reference:

S.C.Yong, P.Roversi, J.Lillington, F.Rodriguez, M.Krehenbrink, O.B.Zeldin, E.F.Garman, S.M.Lea, B.C.Berks. A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry Science V. 345 1170 2014.
ISSN: ISSN 0036-8075
PubMed: 25190793
DOI: 10.1126/SCIENCE.1254237
Page generated: Sun Dec 13 15:27:35 2020

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