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Chlorine in PDB 4l9p: Crystal Structure of Aspergillus Fumigatus Protein Farnesyltransferase Complexed with the Fii Analog, Fpt-II, and the Kcvvm Peptide

Enzymatic activity of Crystal Structure of Aspergillus Fumigatus Protein Farnesyltransferase Complexed with the Fii Analog, Fpt-II, and the Kcvvm Peptide

All present enzymatic activity of Crystal Structure of Aspergillus Fumigatus Protein Farnesyltransferase Complexed with the Fii Analog, Fpt-II, and the Kcvvm Peptide:
2.5.1.58;

Protein crystallography data

The structure of Crystal Structure of Aspergillus Fumigatus Protein Farnesyltransferase Complexed with the Fii Analog, Fpt-II, and the Kcvvm Peptide, PDB code: 4l9p was solved by M.F.Mabanglo, M.A.Hast, L.S.Beese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.42 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 63.236, 90.328, 83.007, 90.00, 111.01, 90.00
R / Rfree (%) 12.5 / 15.2

Other elements in 4l9p:

The structure of Crystal Structure of Aspergillus Fumigatus Protein Farnesyltransferase Complexed with the Fii Analog, Fpt-II, and the Kcvvm Peptide also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Aspergillus Fumigatus Protein Farnesyltransferase Complexed with the Fii Analog, Fpt-II, and the Kcvvm Peptide (pdb code 4l9p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Aspergillus Fumigatus Protein Farnesyltransferase Complexed with the Fii Analog, Fpt-II, and the Kcvvm Peptide, PDB code: 4l9p:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4l9p

Go back to Chlorine Binding Sites List in 4l9p
Chlorine binding site 1 out of 3 in the Crystal Structure of Aspergillus Fumigatus Protein Farnesyltransferase Complexed with the Fii Analog, Fpt-II, and the Kcvvm Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Aspergillus Fumigatus Protein Farnesyltransferase Complexed with the Fii Analog, Fpt-II, and the Kcvvm Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:62.7
occ:1.00
CZ A:PHE202 3.8 19.2 1.0
CE2 A:PHE202 3.9 19.4 1.0
O A:ASN200 3.9 26.6 1.0
CE1 A:PHE202 4.1 19.8 1.0
CD2 A:PHE202 4.4 18.4 1.0
O B:HOH1059 4.4 42.8 1.0
O A:HOH593 4.4 25.1 1.0
CD1 A:PHE202 4.6 18.9 1.0
CG A:PHE202 4.7 16.5 1.0
N A:PHE202 4.9 13.6 1.0
C A:ASN200 4.9 24.8 1.0
CA A:GLU201 5.0 18.9 1.0

Chlorine binding site 2 out of 3 in 4l9p

Go back to Chlorine Binding Sites List in 4l9p
Chlorine binding site 2 out of 3 in the Crystal Structure of Aspergillus Fumigatus Protein Farnesyltransferase Complexed with the Fii Analog, Fpt-II, and the Kcvvm Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Aspergillus Fumigatus Protein Farnesyltransferase Complexed with the Fii Analog, Fpt-II, and the Kcvvm Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl602

b:19.9
occ:1.00
O B:HOH1009 3.1 18.0 1.0
N B:LYS417 3.2 11.1 1.0
NH1 B:ARG422 3.2 11.0 1.0
CG B:LYS417 3.6 22.2 1.0
CA B:CYS416 3.8 9.7 0.5
CB B:LYS417 3.8 17.2 1.0
CA B:CYS416 3.8 9.7 0.5
C B:CYS416 4.0 10.0 0.5
C B:CYS416 4.0 10.0 0.5
CB B:SER111 4.0 17.6 1.0
CA B:LYS417 4.1 13.7 1.0
CD B:LYS417 4.2 25.9 1.0
OG B:SER111 4.3 17.6 1.0
O B:HOH998 4.3 34.2 1.0
O B:GLN415 4.3 10.2 1.0
SG B:CYS416 4.3 11.4 0.5
CZ B:ARG422 4.3 8.8 1.0
O B:HOH810 4.4 21.6 1.0
CB B:CYS416 4.4 9.8 0.5
CB B:CYS416 4.5 10.0 0.5
NH2 B:ARG422 4.6 9.7 1.0
O B:HOH1054 4.6 42.0 1.0
CE B:LYS417 4.7 29.5 1.0
N B:CYS416 4.9 9.2 0.5
N B:CYS416 4.9 9.1 0.5
O B:SER111 5.0 19.9 1.0
O B:HOH1072 5.0 48.7 1.0

Chlorine binding site 3 out of 3 in 4l9p

Go back to Chlorine Binding Sites List in 4l9p
Chlorine binding site 3 out of 3 in the Crystal Structure of Aspergillus Fumigatus Protein Farnesyltransferase Complexed with the Fii Analog, Fpt-II, and the Kcvvm Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Aspergillus Fumigatus Protein Farnesyltransferase Complexed with the Fii Analog, Fpt-II, and the Kcvvm Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl603

b:58.5
occ:1.00
O B:HOH1046 2.8 44.0 1.0
O B:HOH910 2.9 26.8 1.0
O B:GLY195 3.7 16.0 1.0
N B:MET197 3.8 8.2 1.0
O A:HOH667 3.9 42.3 1.0
CA B:MET197 3.9 9.2 1.0
CB B:MET197 4.1 13.1 1.0
C B:GLN196 4.1 9.4 1.0
C B:GLY195 4.2 13.8 1.0
O B:GLN196 4.4 11.1 1.0
CE A:MET50 4.6 18.6 1.0
O A:HOH738 4.6 23.9 1.0
OD1 B:ASN185 4.7 15.1 1.0
N B:GLN196 4.7 11.7 1.0
CG2 A:THR75 4.8 10.5 1.0
O B:HOH1029 4.8 42.6 1.0
CA B:GLN196 4.8 10.3 1.0
O B:HOH1036 4.9 39.6 1.0
CA B:GLY195 4.9 14.4 1.0

Reference:

M.F.Mabanglo, M.A.Hast, N.B.Lubock, H.W.Hellinga, L.S.Beese. Crystal Structures of the Fungal Pathogen Aspergillus Fumigatus Protein Farnesyltransferase Complexed with Substrates and Inhibitors Reveal Features For Antifungal Drug Design. Protein Sci. V. 23 289 2014.
ISSN: ISSN 0961-8368
PubMed: 24347326
DOI: 10.1002/PRO.2411
Page generated: Sat Dec 12 10:52:19 2020

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