Chlorine in PDB 5jgv: Spin-Labeled T4 Lysozyme Construct A73V1

All present enzymatic activity of Spin-Labeled T4 Lysozyme Construct A73V1:
3.2.1.17;

The structure of Spin-Labeled T4 Lysozyme Construct A73V1, PDB code: 5jgv 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)	34.95 / 1.73
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.187, 59.187, 95.582, 90.00, 90.00, 120.00
R / Rfree (%)	14.8 / 18.9

The structure of Spin-Labeled T4 Lysozyme Construct A73V1 also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Spin-Labeled T4 Lysozyme Construct A73V1 (pdb code 5jgv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Spin-Labeled T4 Lysozyme Construct A73V1, PDB code: 5jgv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Spin-Labeled T4 Lysozyme Construct A73V1


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 A73V1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:22.6 occ:1.00 O A:HOH382 3.0 16.8 1.0 NZ A:LYS135 3.0 28.4 1.0 ND2 A:ASN132 3.2 13.1 1.0 CB A:ASN132 3.7 14.5 1.0 CE A:LYS135 3.8 28.3 1.0 CA A:ASN132 3.8 9.9 1.0 CD A:LYS135 3.9 17.0 1.0 CG A:ASN132 4.0 11.7 1.0 N A:ASN132 4.1 8.9 1.0 O A:HOH506 4.3 39.6 1.0 CG1 A:VAL131 4.4 14.3 1.0 CE A:MET120 4.4 16.6 1.0 C A:VAL131 4.7 9.5 1.0 O A:GLU128 4.8 9.8 1.0 O A:HOH438 4.9 35.4 1.0 O A:HOH532 4.9 35.4 1.0 O A:VAL131 4.9 12.9 1.0

Chlorine binding site 2 out of 5 in the Spin-Labeled T4 Lysozyme Construct A73V1


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 A73V1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:19.4 occ:1.00 O A:HOH345 2.5 26.1 1.0 CE A:LYS124 3.4 15.8 1.0 O A:HOH360 3.5 18.1 1.0 CD A:LYS124 4.2 16.1 1.0 NZ A:LYS124 4.5 21.1 1.0 O A:HOH451 4.7 32.4 1.0 O A:SER90 4.8 10.1 1.0

Chlorine binding site 3 out of 5 in the Spin-Labeled T4 Lysozyme Construct A73V1


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 A73V1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:29.6 occ:1.00 NZ A:LYS65 2.8 20.3 1.0 NE2 A:GLN69 3.0 13.4 1.0 O A:HOH363 3.1 16.7 1.0 CE A:LYS65 3.6 21.0 1.0 CG A:GLN69 3.7 10.8 1.0 CD A:GLN69 3.8 17.0 1.0 CG A:LYS65 3.9 12.5 1.0 O A:HOH310 4.0 22.6 1.0 CD A:LYS65 4.4 18.9 1.0 O A:LYS65 4.8 12.6 1.0

Chlorine binding site 4 out of 5 in the Spin-Labeled T4 Lysozyme Construct A73V1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Spin-Labeled T4 Lysozyme Construct A73V1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:27.9 occ:1.00 O A:ALA49 2.9 10.1 1.0 OE1 A:GLN69 3.0 17.1 1.0 CA A:ALA49 3.6 9.6 1.0 C A:ALA49 3.6 10.3 1.0 O A:HOH406 3.8 20.1 1.0 CB A:ALA49 3.9 8.9 1.0 CD2 A:LEU66 3.9 13.5 1.0 O A:HOH405 3.9 15.4 1.0 CD A:GLN69 3.9 17.0 1.0 NE2 A:GLN69 4.2 13.4 1.0 O A:HOH310 4.3 22.6 1.0 O A:HOH510 4.4 32.5 1.0 N A:ILE50 4.9 11.2 1.0 N A:ALA49 4.9 9.5 1.0 O A:LYS48 4.9 10.5 1.0

Chlorine binding site 5 out of 5 in the Spin-Labeled T4 Lysozyme Construct A73V1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Spin-Labeled T4 Lysozyme Construct A73V1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:33.7 occ:1.00 O A:HOH484 3.2 24.6 1.0 ND2 A:ASN55 3.2 18.9 1.0 CG2 A:VAL57 4.1 13.2 1.0 NZ A:LYS16 4.2 45.4 0.7 CG A:ASN55 4.3 26.1 1.0 CB A:VAL57 4.4 19.6 1.0 CG1 A:VAL57 4.6 16.9 1.0 OD1 A:ASN55 4.6 22.6 1.0 O A:HOH350 4.9 28.2 1.0 CE A:LYS16 5.0 28.8 0.7

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