Chlorine in PDB 8aq3: In Surfo Structure of the Membrane Integral Lipoprotein N- Acyltransferase Lnt From E. Coli in Complex with Pe

The structure of In Surfo Structure of the Membrane Integral Lipoprotein N- Acyltransferase Lnt From E. Coli in Complex with Pe, PDB code: 8aq3 was solved by C.-Y.Huang, D.Weichert, C.Boland, L.Smithers, V.Olieric, M.Wang, M.Caffrey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.38 / 2.40
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	160.994, 160.994, 91.282, 90, 90, 120
R / Rfree (%)	22.5 / 24

The binding sites of Chlorine atom in the In Surfo Structure of the Membrane Integral Lipoprotein N- Acyltransferase Lnt From E. Coli in Complex with Pe (pdb code 8aq3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the In Surfo Structure of the Membrane Integral Lipoprotein N- Acyltransferase Lnt From E. Coli in Complex with Pe, PDB code: 8aq3:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the In Surfo Structure of the Membrane Integral Lipoprotein N- Acyltransferase Lnt From E. Coli in Complex with Pe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of In Surfo Structure of the Membrane Integral Lipoprotein N- Acyltransferase Lnt From E. Coli in Complex with Pe within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl621 b:89.0 occ:1.00 N A:GLY322 3.4 56.1 1.0 NE A:ARG289 3.5 90.2 1.0 CD A:ARG289 3.8 89.0 1.0 CA A:LYS321 4.1 65.9 1.0 CA A:GLY322 4.2 64.3 1.0 C A:LYS321 4.2 65.6 1.0 CG A:ARG289 4.3 90.7 1.0 O A:GLY320 4.4 61.0 1.0 CD A:PRO324 4.5 65.7 1.0 CZ A:ARG289 4.7 87.6 1.0 CG A:LYS321 4.7 64.5 1.0 N A:ALA323 4.8 61.5 1.0 CG A:PRO324 4.9 57.3 1.0 NH2 A:ARG289 5.0 82.3 1.0 C A:GLY322 5.0 59.4 1.0 CB A:LYS321 5.0 69.5 1.0

Chlorine binding site 2 out of 3 in the In Surfo Structure of the Membrane Integral Lipoprotein N- Acyltransferase Lnt From E. Coli in Complex with Pe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of In Surfo Structure of the Membrane Integral Lipoprotein N- Acyltransferase Lnt From E. Coli in Complex with Pe within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl622 b:118.7 occ:1.00 NH1 A:ARG193 2.6 110.3 1.0 N A:TRP121 3.3 98.8 1.0 CZ A:ARG193 3.5 121.7 1.0 NH2 A:ARG193 3.5 123.1 1.0 CB A:TRP121 3.7 104.3 1.0 NZ A:LYS189 3.8 105.7 1.0 C A:THR120 4.0 97.6 1.0 CA A:THR120 4.0 101.2 1.0 CA A:TRP121 4.1 98.0 1.0 CD2 A:LEU185 4.2 90.8 1.0 O A:THR119 4.6 93.1 1.0 CB A:THR120 4.6 97.8 1.0 CD A:LYS189 4.7 111.7 1.0 CD1 A:LEU185 4.7 93.4 1.0 NE A:ARG193 4.7 125.2 1.0 CE A:LYS189 4.8 111.5 1.0 CG A:TRP121 4.9 109.3 1.0 CG A:LEU185 4.9 93.5 1.0 O A:THR120 5.0 94.0 1.0

Chlorine binding site 3 out of 3 in the In Surfo Structure of the Membrane Integral Lipoprotein N- Acyltransferase Lnt From E. Coli in Complex with Pe


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of In Surfo Structure of the Membrane Integral Lipoprotein N- Acyltransferase Lnt From E. Coli in Complex with Pe within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl623 b:150.7 occ:1.00 NH2 A:ARG9 3.0 130.1 1.0 CD A:ARG11 3.5 124.6 1.0 NE A:ARG11 3.8 132.0 1.0 CZ A:ARG9 4.1 126.0 1.0 CB A:ARG11 4.2 95.6 1.0 CG A:ARG11 4.3 106.9 1.0 NH1 A:ARG9 4.8 121.5 1.0 CZ A:ARG11 4.9 131.5 1.0 NE A:ARG9 4.9 120.1 1.0 CD A:ARG9 5.0 110.3 1.0

L.Smithers, O.Degtjarik, D.Weichert, C.Y.Huang, C.Boland, K.Bowen, A.Oluwole, C.Lutomski, C.V.Robinson, E.M.Scanlan, M.Wang, V.Olieric, M.Shalev-Benami, M.Caffrey. Structure Snapshots Reveal the Mechanism of A Bacterial Membrane Lipoprotein N -Acyltransferase. Sci Adv V. 9 F5799 2023.
ISSN: ESSN 2375-2548
PubMed: 37390210
DOI: 10.1126/SCIADV.ADF5799