Chlorine in PDB 8a1a: Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1F11V1 Construct

The structure of Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1F11V1 Construct, PDB code: 8a1a was solved by P.R.E.Mittl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.28 / 2.05
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	191.866, 191.866, 122.409, 90, 90, 120
R / Rfree (%)	16.1 / 18.5

The structure of Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1F11V1 Construct also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Manganese	(Mn)	4 atoms

The binding sites of Chlorine atom in the Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1F11V1 Construct (pdb code 8a1a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1F11V1 Construct, PDB code: 8a1a:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1F11V1 Construct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1F11V1 Construct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1710 b:89.3 occ:1.00 OD2 A:ASP1003 4.3 46.5 1.0 C A:GLY1002 4.4 35.6 1.0 O A:THR1001 4.4 38.1 1.0 CA A:GLY1002 4.4 35.8 1.0 CG A:ASP1003 4.4 42.2 1.0 CB A:ASP1003 4.5 35.9 1.0 N A:ASP1003 4.5 34.4 1.0 O A:HOH1901 4.7 53.7 1.0 O A:GLY1002 4.8 36.2 1.0 CB A:VAL992 4.9 30.4 1.0

Chlorine binding site 2 out of 4 in the Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1F11V1 Construct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1F11V1 Construct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1711 b:63.6 occ:1.00 O A:HOH2557 3.8 79.4 1.0 CD A:ARG1168 3.9 41.8 1.0 CD A:LYS1191 3.9 53.0 1.0 O A:HOH2225 4.0 51.5 1.0 CG A:LYS1191 4.0 48.0 1.0 O A:SER1192 4.2 38.7 1.0 CZ A:TYR1215 4.4 37.3 1.0 CE1 A:TYR1215 4.4 36.5 1.0 CE A:LYS1191 4.5 58.7 1.0 O A:HOH2470 4.6 57.4 1.0 OH A:TYR1215 4.6 39.0 1.0 NE A:ARG1168 4.7 43.5 1.0 CA A:ARG1168 4.8 41.3 1.0 CE2 A:TYR1215 4.8 36.6 1.0 CD1 A:TYR1215 4.8 35.8 1.0 O A:ASN1167 4.9 38.0 1.0 O A:HOH2523 4.9 63.7 1.0

Chlorine binding site 3 out of 4 in the Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1F11V1 Construct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1F11V1 Construct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1712 b:52.7 occ:1.00 O A:HOH2286 3.5 36.0 1.0 CE1 A:PHE1222 3.7 43.1 1.0 CZ A:PHE1222 3.7 42.8 1.0 O A:ASN1277 3.8 36.6 1.0 CE2 A:TYR1220 4.0 37.1 1.0 N A:ALA1279 4.0 34.2 1.0 CB A:TYR1257 4.1 39.0 1.0 CG A:TYR1257 4.2 37.5 1.0 OD1 A:ASN1255 4.2 44.3 1.0 CD2 A:TYR1220 4.3 36.0 1.0 CD2 A:TYR1257 4.3 37.5 1.0 CA A:ASN1278 4.3 34.7 1.0 CE3 A:TRP1283 4.4 35.8 1.0 ND2 A:ASN1255 4.4 43.6 1.0 CD2 A:TRP1283 4.5 35.3 1.0 CZ A:TYR1220 4.6 38.1 1.0 CB A:ALA1279 4.6 34.3 1.0 CG A:ASN1255 4.6 42.9 1.0 OD1 A:ASN1278 4.6 41.0 1.0 C A:ASN1277 4.7 36.5 1.0 C A:ASN1278 4.7 34.7 1.0 CZ3 A:TRP1283 4.8 36.2 1.0 CD1 A:TYR1257 4.8 38.0 1.0 OH A:TYR1220 4.9 39.7 1.0 N A:ASN1278 4.9 35.4 1.0 CG A:TRP1283 4.9 35.6 1.0 CA A:ALA1279 5.0 34.5 1.0

Chlorine binding site 4 out of 4 in the Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1F11V1 Construct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1F11V1 Construct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1713 b:106.7 occ:1.00 O A:HOH3028 3.2 56.6 1.0 O A:SER972 3.8 41.4 1.0 N A:ALA974 4.3 39.0 1.0 CA A:ALA974 4.4 38.5 1.0 C A:SER973 4.6 39.4 1.0 C A:SER972 4.6 40.6 1.0 CB A:ALA974 4.6 38.4 1.0 O A:SER973 4.8 38.8 1.0

C.Kiss, F.M.Gall, B.Dreier, M.Adams, R.Riedl, A.Pluckthun, P.R.E.Mittl. Structure of A Hydrophobic Leucinostatin Derivative Determined By Host Lattice Display. Acta Crystallogr D Struct V. 78 1439 2022BIOL.
ISSN: ISSN 2059-7983
PubMed: 36458615
DOI: 10.1107/S2059798322010762