Chlorine in PDB 5jdt: Structure of Spin-Labelled T4 Lysozyme Mutant L118C-R1 at 100K

All present enzymatic activity of Structure of Spin-Labelled T4 Lysozyme Mutant L118C-R1 at 100K:
3.2.1.17;

The structure of Structure of Spin-Labelled T4 Lysozyme Mutant L118C-R1 at 100K, PDB code: 5jdt was solved by B.Loll, P.Consentius, U.Gohlke, R.Mueller, M.Kaupp, U.Heinemann, M.C.Wahl, T.Risse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.76 / 1.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.280, 60.280, 96.970, 90.00, 90.00, 120.00
R / Rfree (%)	11.5 / 13

The structure of Structure of Spin-Labelled T4 Lysozyme Mutant L118C-R1 at 100K also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Structure of Spin-Labelled T4 Lysozyme Mutant L118C-R1 at 100K (pdb code 5jdt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Spin-Labelled T4 Lysozyme Mutant L118C-R1 at 100K, PDB code: 5jdt:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of Spin-Labelled T4 Lysozyme Mutant L118C-R1 at 100K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Spin-Labelled T4 Lysozyme Mutant L118C-R1 at 100K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:9.0 occ:1.00 HG A:SER44 2.4 11.7 1.0 HZ3 A:LYS48 2.5 9.9 1.0 HE2 A:LYS48 3.1 9.5 1.0 OG A:SER44 3.1 9.7 1.0 HD3 A:LYS48 3.1 9.0 1.0 NZ A:LYS48 3.2 8.3 1.0 CE A:LYS48 3.5 7.9 1.0 HZ1 A:LYS48 3.5 9.9 1.0 HA A:GLU45 3.6 8.6 1.0 CD A:LYS48 3.8 7.5 1.0 HB3 A:SER44 3.8 11.2 1.0 OE2 A:GLU45 3.8 9.4 1.0 HB2 A:LYS48 3.9 9.3 1.0 HZ2 A:LYS48 3.9 9.9 1.0 O A:SER44 4.0 8.2 1.0 C A:SER44 4.0 7.7 1.0 CB A:SER44 4.0 9.3 1.0 CD A:GLU45 4.1 8.0 1.0 N A:GLU45 4.1 7.5 1.0 HB3 A:LYS48 4.2 9.3 1.0 CA A:GLU45 4.3 7.2 1.0 OE1 A:GLU45 4.3 8.2 1.0 HE3 A:LYS48 4.4 9.5 1.0 HG2 A:GLU45 4.4 9.1 1.0 CB A:LYS48 4.4 7.7 1.0 HD2 A:LYS48 4.5 9.0 1.0 H A:GLU45 4.5 9.0 1.0 CA A:SER44 4.7 8.2 1.0 CG A:LYS48 4.7 7.3 1.0 CG A:GLU45 4.7 7.6 1.0 HB2 A:SER44 4.8 11.2 1.0

Chlorine binding site 2 out of 3 in the Structure of Spin-Labelled T4 Lysozyme Mutant L118C-R1 at 100K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Spin-Labelled T4 Lysozyme Mutant L118C-R1 at 100K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:9.3 occ:1.00 H A:ARG145 2.5 7.0 0.3 H A:ARG145 2.5 7.0 0.7 HB2 A:ASN144 2.7 8.0 0.3 H A:ASN144 2.7 7.3 0.7 H A:ASN144 2.8 7.0 0.3 HB2 A:ASN144 3.0 9.9 0.7 HA A:THR142 3.0 7.0 1.0 HB A:THR142 3.0 7.4 1.0 O A:HOH582 3.1 12.8 1.0 O A:HOH508 3.2 31.1 1.0 N A:ARG145 3.3 5.8 1.0 N A:ASN144 3.3 6.1 0.7 N A:ASN144 3.4 5.8 0.3 C A:THR142 3.4 5.4 1.0 CA A:THR142 3.5 5.8 1.0 CB A:ASN144 3.6 6.6 0.3 HD2 A:PRO143 3.6 7.8 1.0 HB2 A:ARG145 3.6 8.5 1.0 CB A:THR142 3.7 6.2 1.0 HB3 A:ARG145 3.7 8.5 1.0 N A:PRO143 3.7 5.6 1.0 HG22 A:THR142 3.7 8.2 1.0 O A:THR142 3.8 5.6 1.0 CB A:ASN144 3.8 8.3 0.7 CA A:ASN144 3.8 6.1 0.3 CA A:ASN144 3.9 6.9 0.7 CB A:ARG145 4.0 7.1 1.0 C A:ASN144 4.1 5.8 0.3 C A:ASN144 4.1 6.0 0.7 CD A:PRO143 4.2 6.5 1.0 HB3 A:ASN144 4.2 8.0 0.3 CG2 A:THR142 4.2 6.8 1.0 C A:PRO143 4.3 5.7 1.0 CA A:ARG145 4.3 6.4 1.0 CG A:ASN144 4.4 8.0 0.3 HB3 A:ASN144 4.4 9.9 0.7 HG2 A:PRO143 4.4 8.1 1.0 HD22 A:ASN144 4.6 14.0 0.7 CA A:PRO143 4.6 5.8 1.0 OD1 A:ASN144 4.6 9.8 0.3 H A:ALA146 4.6 7.3 1.0 HG21 A:THR142 4.7 8.2 1.0 O A:HOH362 4.7 13.3 1.0 CG A:ASN144 4.7 10.5 0.7 HA A:ASN144 4.7 7.3 0.3 HA A:ASN144 4.8 8.2 0.7 HA A:ARG145 4.8 7.6 1.0 CG A:PRO143 4.8 6.7 1.0 HH22 A:ARG148 4.9 9.7 1.0 N A:THR142 4.9 5.6 1.0 OG1 A:THR142 4.9 7.0 1.0 HG1 A:THR142 4.9 8.3 1.0 ND2 A:ASN144 5.0 11.7 0.7 HD3 A:PRO143 5.0 7.8 1.0 HG23 A:THR142 5.0 8.2 1.0

Chlorine binding site 3 out of 3 in the Structure of Spin-Labelled T4 Lysozyme Mutant L118C-R1 at 100K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Spin-Labelled T4 Lysozyme Mutant L118C-R1 at 100K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:16.3 occ:1.00 HZ2 A:LYS135 2.1 21.6 1.0 HD22 A:ASN132 2.3 9.8 1.0 O A:HOH402 2.9 12.5 1.0 NZ A:LYS135 2.9 18.0 1.0 O A:HOH551 3.1 25.4 1.0 HB2 A:ASN132 3.1 8.1 1.0 ND2 A:ASN132 3.1 8.2 1.0 HA A:ASN132 3.2 7.8 1.0 HZ1 A:LYS135 3.2 21.6 1.0 HG12 A:VAL131 3.3 11.4 1.0 HD2 A:LYS135 3.3 15.8 1.0 HE1 A:MET120 3.4 14.6 1.0 HZ3 A:LYS135 3.5 21.6 1.0 HE3 A:LYS135 3.5 19.1 1.0 CE A:LYS135 3.6 15.9 1.0 HD21 A:ASN132 3.7 9.8 1.0 CB A:ASN132 3.7 6.8 1.0 CA A:ASN132 3.8 6.5 1.0 CG A:ASN132 3.9 7.3 1.0 CD A:LYS135 3.9 13.2 1.0 CG1 A:VAL131 4.1 9.5 1.0 N A:ASN132 4.1 6.7 1.0 HG11 A:VAL131 4.2 11.4 1.0 H A:ASN132 4.3 8.0 1.0 HD3 A:LYS135 4.4 15.8 1.0 CE A:MET120 4.4 12.2 1.0 O A:HOH417 4.5 23.6 1.0 HE2 A:LYS135 4.5 19.1 1.0 HB A:VAL131 4.6 10.1 1.0 HB3 A:ASN132 4.6 8.1 1.0 C A:VAL131 4.7 6.8 1.0 O A:HOH592 4.7 49.9 1.0 HG13 A:VAL131 4.8 11.4 1.0 O A:GLU128 4.8 7.4 1.0 HE3 A:MET120 4.8 14.6 1.0 O A:HOH581 4.9 16.9 1.0 HE2 A:MET120 4.9 14.6 1.0 O A:VAL131 4.9 7.6 1.0 CB A:VAL131 4.9 8.4 1.0

P.Consentius, U.Gohlke, B.Loll, C.Alings, R.Muller, U.Heinemann, M.Kaupp, M.Wahl, T.Risse. Tracking Transient Conformational States of T4 Lysozyme at Room Temperature Combining X-Ray Crystallography and Site-Directed Spin Labeling. J.Am.Chem.Soc. V. 138 12868 2016.
ISSN: ESSN 1520-5126
PubMed: 27673570
DOI: 10.1021/JACS.6B05507