Chlorine in PDB 5jgu: Spin-Labeled T4 Lysozyme Construct R119V1

All present enzymatic activity of Spin-Labeled T4 Lysozyme Construct R119V1:
3.2.1.17;

The structure of Spin-Labeled T4 Lysozyme Construct R119V1, PDB code: 5jgu was solved by A.R.Balo, H.Feyrer, O.P.Ernst, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.67 / 1.47
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.919, 59.919, 96.154, 90.00, 90.00, 120.00
R / Rfree (%)	15.1 / 17.5

The structure of Spin-Labeled T4 Lysozyme Construct R119V1 also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Spin-Labeled T4 Lysozyme Construct R119V1 (pdb code 5jgu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Spin-Labeled T4 Lysozyme Construct R119V1, PDB code: 5jgu:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Spin-Labeled T4 Lysozyme Construct R119V1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Spin-Labeled T4 Lysozyme Construct R119V1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:15.2 occ:1.00 O A:HOH597 3.0 13.3 1.0 N A:ARG145 3.2 6.1 1.0 N A:ASN144 3.3 7.0 1.0 C A:THR142 3.4 7.3 1.0 CA A:THR142 3.5 6.8 1.0 CB A:THR142 3.6 6.2 1.0 O A:THR142 3.7 7.0 1.0 CB A:ASN144 3.7 6.7 1.0 N A:PRO143 3.7 5.9 1.0 CA A:ASN144 3.8 7.6 1.0 CB A:ARG145 3.8 8.1 1.0 C A:ASN144 4.0 6.9 1.0 CA A:ARG145 4.1 7.8 1.0 CG2 A:THR142 4.2 8.3 1.0 CD A:PRO143 4.2 7.3 1.0 C A:PRO143 4.2 7.2 1.0 CA A:PRO143 4.6 6.6 1.0 CG A:ASN144 4.7 11.1 1.0 O A:HOH342 4.8 14.2 1.0 OG1 A:THR142 4.8 8.1 1.0 N A:THR142 4.9 7.1 1.0

Chlorine binding site 2 out of 3 in the Spin-Labeled T4 Lysozyme Construct R119V1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Spin-Labeled T4 Lysozyme Construct R119V1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:19.1 occ:1.00 O A:HOH380 3.0 13.6 1.0 NZ A:LYS135 3.0 26.1 1.0 ND2 A:ASN132 3.2 13.8 1.0 CB A:ASN132 3.7 8.1 1.0 CA A:ASN132 3.8 7.6 1.0 CE A:LYS135 3.8 23.0 1.0 CG A:ASN132 3.9 10.8 1.0 CD A:LYS135 4.0 16.1 1.0 N A:ASN132 4.1 7.2 1.0 CG1 A:VAL131 4.2 10.9 1.0 CE A:MET120 4.4 16.1 1.0 O A:HOH495 4.6 26.1 1.0 C A:VAL131 4.6 8.5 1.0 O A:VAL131 4.8 10.2 1.0 O A:GLU128 4.8 8.6 1.0 CB A:VAL131 4.9 8.6 1.0 O A:HOH591 5.0 21.9 1.0

Chlorine binding site 3 out of 3 in the Spin-Labeled T4 Lysozyme Construct R119V1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Spin-Labeled T4 Lysozyme Construct R119V1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:15.9 occ:1.00 O A:HOH446 3.0 17.1 1.0 C A:LYS135 3.6 8.5 1.0 CA A:LYS135 3.8 7.0 1.0 N A:SER136 3.9 7.2 1.0 O A:LYS135 4.0 9.0 1.0 CB A:LYS135 4.0 9.6 1.0 ND2 A:ASN140 4.5 10.8 1.0 CA A:SER136 4.7 6.7 1.0 CG A:LYS135 4.8 12.7 1.0

A.R.Balo, H.Feyrer, O.P.Ernst. Toward Precise Interpretation of Deer-Based Distance Distributions: Insights From Structural Characterization of V1 Spin-Labeled Side Chains. Biochemistry V. 55 5256 2016.
ISSN: ISSN 1520-4995
PubMed: 27532325
DOI: 10.1021/ACS.BIOCHEM.6B00608