Chlorine in PDB 8a19: Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1E4V1 Construct

The structure of Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1E4V1 Construct, PDB code: 8a19 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)	34.52 / 2.36
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	192.757, 192.757, 122.834, 90, 90, 120
R / Rfree (%)	16.3 / 19.3

The structure of Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1E4V1 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 : L1E4V1 Construct (pdb code 8a19). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1E4V1 Construct, PDB code: 8a19:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1E4V1 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 : L1E4V1 Construct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1710 b:85.2 occ:1.00 OD2 A:ASP1003 4.0 47.7 1.0 CG A:ASP1003 4.4 43.9 1.0 C A:GLY1002 4.6 38.3 1.0 CA A:GLY1002 4.6 38.8 1.0 CB A:ASP1003 4.6 38.8 1.0 O A:THR1001 4.6 42.3 1.0 N A:ASP1003 4.7 37.3 1.0 O A:HOH2968 4.9 66.6 1.0 O A:GLY1002 4.9 38.9 1.0 CB A:VAL992 4.9 33.7 1.0

Chlorine binding site 2 out of 5 in the Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1E4V1 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 : L1E4V1 Construct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1711 b:113.8 occ:1.00 CB A:CYS1655 4.8 79.7 1.0 CD2 A:HIS1623 4.9 76.2 1.0

Chlorine binding site 3 out of 5 in the Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1E4V1 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 : L1E4V1 Construct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1712 b:99.8 occ:1.00 O A:HOH2888 3.6 56.6 1.0 O A:SER972 3.9 46.4 1.0 C A:SER972 4.5 45.8 1.0 N A:ALA974 4.6 43.8 1.0 C A:SER973 4.7 44.3 1.0 CA A:ALA974 4.8 43.4 1.0 O A:SER973 4.8 44.3 1.0

Chlorine binding site 4 out of 5 in the Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1E4V1 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 : L1E4V1 Construct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1713 b:56.5 occ:1.00 O A:HOH2137 3.4 39.7 1.0 CE1 A:PHE1222 3.7 45.2 1.0 CZ A:PHE1222 3.8 44.7 1.0 O A:ASN1277 3.9 40.8 1.0 N A:ALA1279 3.9 39.5 1.0 CE2 A:TYR1220 4.0 41.9 1.0 CB A:TYR1257 4.2 44.9 1.0 CG A:TYR1257 4.2 43.6 1.0 CE3 A:TRP1283 4.2 38.6 1.0 CA A:ASN1278 4.3 39.4 1.0 CD2 A:TYR1220 4.3 40.4 1.0 OD1 A:ASN1255 4.3 48.8 1.0 CD2 A:TYR1257 4.3 43.6 1.0 CD2 A:TRP1283 4.4 38.6 1.0 ND2 A:ASN1255 4.5 48.3 1.0 CZ A:TYR1220 4.6 42.7 1.0 OD1 A:ASN1278 4.6 43.0 1.0 CB A:ALA1279 4.6 39.3 1.0 CZ3 A:TRP1283 4.6 38.5 1.0 C A:ASN1278 4.6 40.2 1.0 CG A:ASN1255 4.7 48.0 1.0 C A:ASN1277 4.8 40.7 1.0 CD1 A:TYR1257 4.8 43.5 1.0 CG A:TRP1283 4.9 39.4 1.0 OH A:TYR1220 4.9 43.9 1.0 CA A:ALA1279 4.9 39.5 1.0 N A:ASN1278 5.0 39.9 1.0 CG A:ASN1278 5.0 41.0 1.0

Chlorine binding site 5 out of 5 in the Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1E4V1 Construct


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1E4V1 Construct within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1714 b:72.6 occ:1.00 CD A:LYS1191 3.9 60.9 1.0 CD A:ARG1168 3.9 46.9 1.0 O A:HOH2104 4.0 52.5 1.0 CG A:LYS1191 4.0 55.5 1.0 O A:SER1192 4.3 44.6 1.0 CZ A:TYR1215 4.3 40.1 1.0 CE1 A:TYR1215 4.3 39.0 1.0 O A:HOH2228 4.4 57.1 1.0 OH A:TYR1215 4.5 41.6 1.0 O A:HOH2583 4.6 64.5 1.0 NE A:ARG1168 4.7 48.9 1.0 CE A:LYS1191 4.7 66.8 1.0 CE2 A:TYR1215 4.8 39.2 1.0 CD1 A:TYR1215 4.8 38.3 1.0 CA A:ARG1168 4.8 45.5 1.0 O A:ASN1167 4.9 42.7 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