Chlorine in PDB 5jgx: Spin-Labeled T4 Lysozyme Construct V131V1

All present enzymatic activity of Spin-Labeled T4 Lysozyme Construct V131V1:
3.2.1.17;

The structure of Spin-Labeled T4 Lysozyme Construct V131V1, PDB code: 5jgx 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)	30.05 / 1.53
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.103, 60.103, 96.551, 90.00, 90.00, 120.00
R / Rfree (%)	16 / 18.9

The structure of Spin-Labeled T4 Lysozyme Construct V131V1 also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Spin-Labeled T4 Lysozyme Construct V131V1 (pdb code 5jgx). 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 V131V1, PDB code: 5jgx:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Spin-Labeled T4 Lysozyme Construct V131V1


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 V131V1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:27.3 occ:1.00 O A:HOH426 2.7 16.6 1.0 NZ A:LYS135 2.9 26.4 1.0 ND2 A:ASN132 3.2 13.3 1.0 CB A:ASN132 3.6 8.9 1.0 CE A:LYS135 3.6 25.2 1.0 CA A:ASN132 3.7 8.3 1.0 CG A:ASN132 3.9 12.8 1.0 CD A:LYS135 4.0 18.2 1.0 N A:ASN132 4.0 8.2 1.0 CE A:MET120 4.3 18.7 1.0 SG A:CYS131 4.4 16.7 0.7 C A:CYS131 4.5 9.9 1.0 O A:HOH384 4.7 33.5 1.0 O A:GLU128 4.7 10.1 1.0 O A:CYS131 4.8 11.5 1.0 CB A:CYS131 4.8 11.5 0.7 CB A:CYS131 4.9 11.5 0.3 SD A:MET120 5.0 12.3 1.0

Chlorine binding site 2 out of 3 in the Spin-Labeled T4 Lysozyme Construct V131V1


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 V131V1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:15.2 occ:1.00 O A:HOH436 2.5 21.8 1.0 O A:HOH544 3.2 33.3 1.0 CE A:LYS124 3.5 13.2 1.0 O A:HOH399 3.8 20.1 1.0 CD A:LYS124 4.3 9.3 1.0 NZ A:LYS124 4.7 16.9 1.0 O A:HOH466 4.9 22.3 1.0

Chlorine binding site 3 out of 3 in the Spin-Labeled T4 Lysozyme Construct V131V1


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 V131V1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:15.9 occ:1.00 O A:HOH462 3.1 17.8 1.0 C A:LYS135 3.7 7.2 1.0 CA A:LYS135 3.8 8.8 1.0 N A:SER136 4.0 8.3 1.0 O A:LYS135 4.0 9.4 1.0 CB A:LYS135 4.1 10.7 1.0 O A:HOH375 4.2 22.6 1.0 ND2 A:ASN140 4.6 11.1 1.0 CA A:SER136 4.8 8.3 1.0 CG A:LYS135 4.9 14.5 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