Chlorine in PDB 5kgr: Spin-Labeled T4 Lysozyme Construct I9V1/V131V1 (30 Days)

All present enzymatic activity of Spin-Labeled T4 Lysozyme Construct I9V1/V131V1 (30 Days):
3.2.1.17;

The structure of Spin-Labeled T4 Lysozyme Construct I9V1/V131V1 (30 Days), PDB code: 5kgr 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)	35.17 / 1.47
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.031, 60.031, 95.509, 90.00, 90.00, 120.00
R / Rfree (%)	16.6 / 18.9

The structure of Spin-Labeled T4 Lysozyme Construct I9V1/V131V1 (30 Days) also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Spin-Labeled T4 Lysozyme Construct I9V1/V131V1 (30 Days) (pdb code 5kgr). 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 I9V1/V131V1 (30 Days), PDB code: 5kgr:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Spin-Labeled T4 Lysozyme Construct I9V1/V131V1 (30 Days)


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 I9V1/V131V1 (30 Days) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:16.5 occ:1.00 O A:HOH573 3.1 12.6 1.0 N A:ARG145 3.2 5.0 1.0 N A:ASN144 3.3 5.9 1.0 C A:THR142 3.4 6.8 1.0 O A:HOH484 3.5 26.9 1.0 CA A:THR142 3.5 6.3 1.0 CB A:THR142 3.6 6.9 1.0 O A:THR142 3.7 6.4 1.0 N A:PRO143 3.7 4.5 1.0 CB A:ASN144 3.7 6.9 1.0 CA A:ASN144 3.8 6.6 1.0 CB A:ARG145 3.8 6.4 1.0 C A:ASN144 4.0 5.6 1.0 CA A:ARG145 4.1 5.4 1.0 CD A:PRO143 4.2 7.7 1.0 C A:PRO143 4.2 5.1 1.0 CG2 A:THR142 4.3 9.4 1.0 CA A:PRO143 4.6 4.9 1.0 CG A:ASN144 4.8 11.2 1.0 OG1 A:THR142 4.8 8.7 1.0 O A:HOH340 4.9 16.2 1.0 N A:THR142 4.9 6.6 1.0 CG A:PRO143 5.0 5.9 1.0

Chlorine binding site 2 out of 3 in the Spin-Labeled T4 Lysozyme Construct I9V1/V131V1 (30 Days)


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 I9V1/V131V1 (30 Days) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:15.9 occ:1.00 O A:HOH435 3.1 17.9 1.0 C A:LYS135 3.6 8.4 1.0 CA A:LYS135 3.7 7.2 1.0 N A:SER136 3.9 5.8 1.0 O A:LYS135 3.9 10.0 1.0 CB A:LYS135 4.0 11.8 1.0 O A:HOH364 4.4 22.0 1.0 ND2 A:ASN140 4.5 8.8 1.0 CA A:SER136 4.7 5.3 1.0 CG A:LYS135 4.8 13.5 1.0

Chlorine binding site 3 out of 3 in the Spin-Labeled T4 Lysozyme Construct I9V1/V131V1 (30 Days)


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 I9V1/V131V1 (30 Days) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:29.9 occ:1.00 O A:HOH375 2.8 18.1 1.0 NZ A:LYS135 2.9 34.9 1.0 ND2 A:ASN132 3.2 17.6 1.0 CE A:LYS135 3.5 21.2 1.0 CB A:ASN132 3.7 7.8 1.0 CA A:ASN132 3.8 8.1 1.0 CG A:ASN132 4.0 13.2 1.0 CD A:LYS135 4.0 20.8 1.0 N A:ASN132 4.1 5.8 1.0 SG A:CYS131 4.4 17.7 0.5 CE A:MET120 4.4 17.8 1.0 C A:CYS131 4.6 8.1 1.0 O A:HOH561 4.7 28.0 1.0 O A:GLU128 4.8 8.8 1.0 CB A:CYS131 4.9 11.2 0.5 O A:CYS131 4.9 10.4 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