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Chlorine in PDB 5uy1: X-Ray Crystal Structure of Apo Halotag

Enzymatic activity of X-Ray Crystal Structure of Apo Halotag

All present enzymatic activity of X-Ray Crystal Structure of Apo Halotag:
3.8.1.5;

Protein crystallography data

The structure of X-Ray Crystal Structure of Apo Halotag, PDB code: 5uy1 was solved by N.P.Dunham, A.K.Boal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 69.077, 94.628, 99.993, 90.00, 90.00, 90.00
R / Rfree (%) 18.8 / 19.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystal Structure of Apo Halotag (pdb code 5uy1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Crystal Structure of Apo Halotag, PDB code: 5uy1:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 5uy1

Go back to Chlorine Binding Sites List in 5uy1
Chlorine binding site 1 out of 3 in the X-Ray Crystal Structure of Apo Halotag


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of Apo Halotag within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:11.7
occ:1.00
O A:HOH601 3.2 16.7 1.0
NE1 A:TRP107 3.3 10.2 1.0
ND2 A:ASN41 3.4 9.6 1.0
N A:PRO206 3.5 10.6 1.0
CA A:PRO206 3.7 10.7 1.0
CD1 A:TRP107 3.7 10.2 1.0
CD A:PRO206 3.8 10.6 1.0
CZ A:PHE168 3.8 12.7 1.0
C A:PHE205 3.8 10.4 1.0
CB A:PHE205 3.9 10.2 1.0
CD1 A:LEU209 4.0 12.2 1.0
CB A:PRO206 4.0 10.7 1.0
CB A:ASN41 4.0 9.6 1.0
O A:PHE205 4.2 10.4 1.0
CE2 A:PHE168 4.2 12.8 1.0
CG A:ASN41 4.2 9.6 1.0
CG A:LEU209 4.2 12.2 1.0
CG A:PRO206 4.4 10.7 1.0
CE2 A:PHE149 4.4 17.2 1.0
CD2 A:LEU209 4.4 12.3 1.0
CE2 A:TRP107 4.5 10.3 1.0
CA A:PHE205 4.5 10.3 1.0
CE1 A:PHE168 4.8 12.7 1.0
CG A:PHE205 4.9 10.2 1.0
OD2 A:ASP106 4.9 10.4 1.0
O A:HOH705 5.0 26.0 1.0

Chlorine binding site 2 out of 3 in 5uy1

Go back to Chlorine Binding Sites List in 5uy1
Chlorine binding site 2 out of 3 in the X-Ray Crystal Structure of Apo Halotag


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of Apo Halotag within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:12.1
occ:1.00
O B:HOH575 3.2 19.1 1.0
NE1 B:TRP107 3.3 9.5 1.0
ND2 B:ASN41 3.3 9.9 1.0
N B:PRO206 3.6 10.7 1.0
CA B:PRO206 3.7 10.8 1.0
CD1 B:TRP107 3.8 9.5 1.0
CD B:PRO206 3.8 10.7 1.0
CZ B:PHE168 3.8 13.1 1.0
C B:PHE205 3.8 10.6 1.0
CB B:PHE205 3.9 10.5 1.0
CD1 B:LEU209 3.9 11.9 1.0
CB B:ASN41 4.0 10.0 1.0
CB B:PRO206 4.1 10.8 1.0
CG B:LEU209 4.1 11.9 1.0
O B:PHE205 4.1 10.7 1.0
CG B:ASN41 4.2 10.0 1.0
CD2 B:LEU209 4.3 11.9 1.0
CE2 B:PHE168 4.3 13.1 1.0
CE2 B:PHE149 4.3 14.8 1.0
CG B:PRO206 4.4 10.8 1.0
CA B:PHE205 4.5 10.6 1.0
CE2 B:TRP107 4.6 9.5 1.0
CE1 B:PHE168 4.8 13.1 1.0
CG B:PHE205 4.8 10.4 1.0
OD2 B:ASP106 4.9 9.3 1.0
CZ B:PHE149 5.0 14.7 1.0

Chlorine binding site 3 out of 3 in 5uy1

Go back to Chlorine Binding Sites List in 5uy1
Chlorine binding site 3 out of 3 in the X-Ray Crystal Structure of Apo Halotag


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystal Structure of Apo Halotag within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:37.2
occ:1.00
O B:HOH506 3.1 25.6 1.0
O B:HOH695 3.2 27.7 1.0
NE2 B:GLN231 3.5 13.0 0.5
NE1 B:TRP228 3.7 13.4 0.9
OG B:SER232 4.1 13.7 0.8
O B:HOH643 4.1 30.7 1.0
CB B:SER232 4.1 13.6 1.0
CD B:PRO233 4.1 13.7 1.0
CA B:SER232 4.2 13.6 1.0
CE2 B:TRP228 4.3 13.4 0.9
CB B:PRO120 4.3 14.3 1.0
CD B:GLN231 4.4 13.2 0.5
CZ2 B:TRP228 4.4 13.3 0.9
OE1 B:GLN231 4.4 13.1 0.4
CD1 B:TRP228 4.6 13.4 0.9
O B:GLN231 4.9 13.8 1.0

Reference:

Y.Liu, K.Miao, N.P.Dunham, H.Liu, M.Fares, A.K.Boal, X.Li, X.Zhang. The Cation-Pi Interaction Enables A Halo-Tag Fluorogenic Probe For Fast No-Wash Live Cell Imaging and Gel-Free Protein Quantification. Biochemistry V. 56 1585 2017.
ISSN: ISSN 1520-4995
PubMed: 28221782
DOI: 10.1021/ACS.BIOCHEM.7B00056
Page generated: Sat Jul 12 09:37:19 2025

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