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Chlorine 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:

Iron (Fe) 4 atoms
Calcium (Ca) 6 atoms
Vanadium (V) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Pseudomonas Fluorescens Phox in Complex with Vanadate, A Transition State Analogue, PDB code: 3zwu:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3zwu

Go back to Chlorine Binding Sites List in 3zwu
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1589

b:15.7
occ:1.00
O A:HOH2489 3.2 27.5 1.0
O A:HOH2879 3.2 24.2 1.0
N A:ASN555 3.2 12.6 1.0
N A:GLY557 3.3 13.8 1.0
CA A:GLY553 3.4 10.2 1.0
CA A:GLY530 3.6 10.3 1.0
C A:GLY553 3.6 13.1 1.0
CB A:ASN555 3.7 13.8 1.0
CA A:ASN555 3.7 12.7 1.0
C A:ASN555 3.7 16.9 1.0
N A:GLU554 3.7 11.8 1.0
N A:GLY556 3.7 13.5 1.0
CA A:GLY557 3.8 13.2 1.0
CG2 A:ILE529 3.8 13.8 1.0
N A:GLY530 4.0 11.0 1.0
O A:GLY553 4.1 12.2 1.0
N A:GLY553 4.2 9.7 1.0
O A:ILE529 4.3 12.8 1.0
C A:ILE529 4.3 13.2 1.0
C A:GLU554 4.3 15.2 1.0
O A:ASN555 4.3 17.8 1.0
C A:GLY556 4.3 17.6 1.0
C A:GLY557 4.4 14.6 1.0
CG A:ASN555 4.5 32.1 1.0
CA A:GLU554 4.6 11.5 1.0
CA A:GLY556 4.6 13.6 1.0
ND2 A:ASN555 4.6 26.5 1.0
N A:SER558 4.7 10.6 1.0
C A:GLY530 4.8 13.0 1.0
CG A:GLU554 4.8 17.4 1.0
CB A:ILE529 5.0 12.8 1.0
O A:GLY557 5.0 14.0 1.0

Chlorine binding site 2 out of 4 in 3zwu

Go back to Chlorine Binding Sites List in 3zwu
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1590

b:18.7
occ:1.00
O A:HOH2312 2.8 18.8 1.0
O A:HOH2317 2.9 18.0 1.0
NE2 A:GLN344 3.3 17.1 1.0
O A:ARG328 3.5 13.4 1.0
CG A:GLN344 3.7 12.0 1.0
C A:ARG328 3.7 12.4 1.0
CG A:ARG328 3.7 10.8 1.0
N A:ASP330 3.7 10.6 1.0
CD A:ARG328 3.8 10.8 1.0
CB A:ARG328 3.9 10.3 1.0
CA A:GLY343 3.9 9.4 1.0
C A:PHE329 3.9 12.5 1.0
CD A:GLN344 4.0 21.0 1.0
N A:PHE329 4.0 9.1 1.0
N A:GLN344 4.1 8.6 1.0
CA A:PHE329 4.1 8.8 1.0
O A:GLN342 4.2 11.1 1.0
C A:GLY343 4.2 11.1 1.0
O A:HOH2649 4.3 21.9 1.0
CA A:ASP330 4.3 10.5 1.0
CB A:ASP330 4.3 11.5 1.0
CA A:ARG328 4.4 9.2 1.0
O A:PHE329 4.5 12.0 1.0
O A:HOH2316 4.5 31.1 1.0
CB A:GLN344 4.6 9.6 1.0
N A:GLY343 4.7 9.6 1.0
O A:HOH2681 4.7 14.7 1.0
O A:HOH2654 4.7 18.2 1.0
C A:GLN342 4.8 11.9 1.0
O A:HOH2652 4.9 18.6 1.0
CA A:GLN344 5.0 8.3 1.0

Chlorine binding site 3 out of 4 in 3zwu

Go back to Chlorine Binding Sites List in 3zwu
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1589

b:13.7
occ:1.00
O B:HOH2767 3.1 18.4 1.0
O B:HOH2417 3.2 24.8 1.0
N B:ASN555 3.2 10.5 1.0
N B:GLY557 3.3 11.9 1.0
CA B:GLY553 3.4 8.7 1.0
C B:GLY553 3.6 11.1 1.0
CA B:GLY530 3.6 9.1 1.0
CB B:ASN555 3.6 11.9 1.0
CA B:ASN555 3.7 10.9 1.0
C B:ASN555 3.7 15.4 1.0
N B:GLU554 3.7 9.1 1.0
N B:GLY556 3.7 12.4 1.0
CG2 B:ILE529 3.8 11.4 1.0
CA B:GLY557 3.8 11.5 1.0
N B:GLY530 4.0 9.6 1.0
O B:GLY553 4.1 10.2 1.0
N B:GLY553 4.2 8.6 1.0
O B:ILE529 4.3 9.3 1.0
C B:ILE529 4.3 10.5 1.0
O B:ASN555 4.3 15.6 1.0
C B:GLU554 4.3 13.1 1.0
C B:GLY556 4.3 16.3 1.0
C B:GLY557 4.4 14.0 1.0
CG B:ASN555 4.5 26.8 1.0
CA B:GLU554 4.6 8.8 1.0
CA B:GLY556 4.6 12.6 1.0
ND2 B:ASN555 4.6 22.6 1.0
N B:SER558 4.7 10.1 1.0
C B:GLY530 4.8 11.4 1.0
CG B:GLU554 4.8 11.2 1.0
O B:HOH2768 4.8 36.5 1.0
CB B:ILE529 4.9 10.3 1.0
O B:GLY557 5.0 14.1 1.0

Chlorine binding site 4 out of 4 in 3zwu

Go back to Chlorine Binding Sites List in 3zwu
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1590

b:22.0
occ:1.00
O B:HOH2271 2.9 21.8 1.0
O B:HOH2274 2.9 27.6 1.0
NE2 B:GLN344 3.2 22.3 1.0
O B:ARG328 3.5 13.8 1.0
CG B:GLN344 3.6 18.7 1.0
C B:ARG328 3.8 14.8 1.0
CG B:ARG328 3.8 15.7 1.0
N B:ASP330 3.8 13.5 1.0
CD B:ARG328 3.8 15.8 1.0
CA B:GLY343 3.9 13.7 1.0
CD B:GLN344 3.9 30.8 1.0
CB B:ARG328 3.9 12.1 1.0
C B:PHE329 4.0 16.0 1.0
N B:GLN344 4.1 13.7 1.0
N B:PHE329 4.1 11.9 1.0
C B:GLY343 4.2 17.0 1.0
O B:GLN342 4.2 15.7 1.0
CA B:PHE329 4.3 11.8 1.0
CB B:ASP330 4.3 14.7 1.0
CA B:ASP330 4.3 13.2 1.0
O B:HOH2552 4.4 27.5 1.0
CB B:GLN344 4.5 14.9 1.0
CA B:ARG328 4.5 11.5 1.0
O B:PHE329 4.6 16.1 1.0
O B:HOH2574 4.7 17.8 1.0
N B:GLY343 4.7 13.7 1.0
C B:GLN342 4.8 16.6 1.0
O B:HOH2553 4.8 17.5 1.0
O B:HOH2555 4.9 21.0 1.0
CA B:GLN344 4.9 13.6 1.0
O B:HOH2577 4.9 44.3 1.0
O B:GLY343 5.0 16.9 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: Wed Oct 28 11:33:07 2020

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