Chlorine in PDB 8f11: T4 Lysozyme with A 2,6-Diazaadamantane Nitroxide (Dzd) Spin Label

All present enzymatic activity of T4 Lysozyme with A 2,6-Diazaadamantane Nitroxide (Dzd) Spin Label:
3.2.1.17;

The structure of T4 Lysozyme with A 2,6-Diazaadamantane Nitroxide (Dzd) Spin Label, PDB code: 8f11 was solved by M.A.Wilson, P.Madzelan, A.Rajca, R.Stein, Z.Yang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.20 / 1.12
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.046, 60.046, 95.624, 90, 90, 120
R / Rfree (%)	13.5 / 15.9

The structure of T4 Lysozyme with A 2,6-Diazaadamantane Nitroxide (Dzd) Spin Label also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Chlorine atom in the T4 Lysozyme with A 2,6-Diazaadamantane Nitroxide (Dzd) Spin Label (pdb code 8f11). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the T4 Lysozyme with A 2,6-Diazaadamantane Nitroxide (Dzd) Spin Label, PDB code: 8f11:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the T4 Lysozyme with A 2,6-Diazaadamantane Nitroxide (Dzd) Spin Label


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of T4 Lysozyme with A 2,6-Diazaadamantane Nitroxide (Dzd) Spin Label within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:20.2 occ:0.73 H A:ARG145 2.3 14.2 1.0 O A:HOH475 2.5 17.0 0.8 H A:ASN144 2.8 14.3 1.0 HB A:THR142 2.9 15.2 1.0 HB2 A:ASN144 2.9 17.4 1.0 O A:HOH585 3.0 23.6 1.0 HA A:THR142 3.0 14.5 1.0 N A:ARG145 3.1 11.9 1.0 HB2 A:ARG145 3.2 18.6 1.0 N A:ASN144 3.3 11.9 1.0 C A:THR142 3.3 11.7 1.0 CA A:THR142 3.4 12.1 1.0 CB A:THR142 3.6 12.7 1.0 HB3 A:ARG145 3.7 18.6 1.0 O A:THR142 3.7 11.8 1.0 N A:PRO143 3.7 12.1 1.0 CB A:ASN144 3.8 14.5 1.0 CB A:ARG145 3.8 15.5 1.0 HD2 A:PRO143 3.8 15.5 1.0 CA A:ASN144 3.8 13.3 1.0 HG22 A:THR142 3.9 17.6 1.0 C A:ASN144 3.9 11.7 1.0 CA A:ARG145 4.1 12.1 1.0 C A:PRO143 4.2 11.6 1.0 CD A:PRO143 4.2 12.9 1.0 CG2 A:THR142 4.3 14.7 1.0 HB3 A:ASN144 4.3 17.4 1.0 H A:ALA146 4.4 14.3 0.3 H A:ALA146 4.4 15.0 0.7 CA A:PRO143 4.5 12.3 1.0 HG2 A:PRO143 4.6 16.0 1.0 HA A:ARG145 4.7 14.6 1.0 HG21 A:THR142 4.7 17.6 1.0 O A:HOH341 4.7 22.2 1.0 HA A:ASN144 4.8 15.9 1.0 CG A:ASN144 4.8 18.6 1.0 HG1 A:THR142 4.8 16.6 1.0 OG1 A:THR142 4.8 13.8 1.0 N A:THR142 4.9 11.7 1.0 HH22 A:ARG148 4.9 18.1 1.0 CG A:PRO143 4.9 13.4 1.0

Chlorine binding site 2 out of 3 in the T4 Lysozyme with A 2,6-Diazaadamantane Nitroxide (Dzd) Spin Label


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of T4 Lysozyme with A 2,6-Diazaadamantane Nitroxide (Dzd) Spin Label within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:28.3 occ:0.69 O A:PRO37 2.6 25.9 1.0 O A:HOH501 2.7 29.9 1.0 OH A:TYR25 2.7 24.8 1.0 O A:HOH395 2.8 34.4 1.0 HH A:TYR25 3.1 29.8 1.0 O A:HOH440 3.5 34.7 1.0 O A:HOH532 3.6 47.0 1.0 HE2 A:TYR25 3.7 25.3 1.0 HZ1 A:LYS19 3.8 27.6 1.0 CZ A:TYR25 3.8 20.4 1.0 C A:PRO37 3.8 24.2 1.0 H A:LEU39 4.1 25.9 1.0 HB2 A:PRO37 4.1 32.8 1.0 CE2 A:TYR25 4.2 21.1 1.0 O A:HOH322 4.2 36.6 1.0 HE2 A:LYS19 4.3 25.2 1.0 HA A:PRO37 4.4 29.8 1.0 HA A:SER38 4.4 27.1 1.0 HB2 A:LEU39 4.4 27.9 1.0 NZ A:LYS19 4.5 23.0 1.0 CA A:PRO37 4.5 24.8 1.0 HZ3 A:LYS19 4.6 27.6 1.0 N A:LEU39 4.6 21.6 1.0 HE3 A:LYS19 4.7 25.2 1.0 CE A:LYS19 4.7 21.0 1.0 CB A:PRO37 4.8 27.4 1.0 N A:SER38 4.8 21.8 1.0 CA A:SER38 5.0 22.6 1.0 CE1 A:TYR25 5.0 20.4 1.0

Chlorine binding site 3 out of 3 in the T4 Lysozyme with A 2,6-Diazaadamantane Nitroxide (Dzd) Spin Label


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of T4 Lysozyme with A 2,6-Diazaadamantane Nitroxide (Dzd) Spin Label within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:16.0 occ:0.63 O A:HOH445 3.0 25.1 1.0 HA A:LYS135 3.2 15.6 1.0 O A:HOH487 3.3 15.3 1.0 HB3 A:LYS135 3.4 17.9 1.0 C A:LYS135 3.7 13.2 1.0 CA A:LYS135 3.8 13.0 1.0 N A:SER136 3.9 12.3 1.0 H A:SER136 3.9 14.7 1.0 O A:LYS135 4.1 14.1 1.0 CB A:LYS135 4.1 14.9 1.0 HG2 A:LYS135 4.4 21.2 1.0 OD1 A:ASN140 4.5 16.2 1.0 HA A:SER136 4.5 14.6 1.0 CA A:SER136 4.7 12.2 1.0 HB2 A:LYS135 4.8 17.9 1.0 CG A:LYS135 4.8 17.7 1.0

Z.Yang, R.Stein, M.Pink, P.Madzelan, T.Ngendahimana, S.Rajca, M.A.Wilson, S.S.Eaton, G.R.Eaton, H.S.Mchaourab, A.Rajca. Supramolecular Complexation with Cucurbit[7]Uril in Electron Paramagnetic Resonance Distance Measurements of Spin-Labeled Protein To Be Published.