Manganese 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:

Chlorine	(Cl)	4 atoms
Fluorine	(F)	1 atom

The binding sites of Manganese 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 Manganese atom.
In total 4 binding sites of Manganese where determined in the Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1F11V1 Construct, PDB code: 8a1a:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese 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 Manganese with other atoms in the Mn 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:Mn1701 b:44.9 occ:1.00 OD1 A:ASP601 2.3 37.8 1.0 O A:ALA607 2.3 38.5 1.0 OD1 A:ASN603 2.3 39.1 1.0 OD1 A:ASP605 2.3 42.9 1.0 O A:HOH2318 2.4 35.5 1.0 OD1 A:ASP612 2.5 34.8 1.0 OD2 A:ASP612 2.5 35.2 1.0 CG A:ASP612 2.9 34.6 1.0 CG A:ASP605 3.3 42.7 1.0 CG A:ASN603 3.3 38.8 1.0 C A:ALA607 3.5 38.5 1.0 CG A:ASP601 3.5 39.5 1.0 ND2 A:ASN603 3.8 37.6 1.0 OD2 A:ASP605 3.8 44.1 1.0 N A:ALA607 4.2 40.0 1.0 N A:ASP605 4.2 39.9 1.0 CA A:ASP601 4.2 36.1 1.0 OD2 A:ASP601 4.3 42.6 1.0 N A:ASN603 4.3 38.1 1.0 CA A:ALA607 4.3 39.0 1.0 CB A:ASP612 4.4 32.3 1.0 CB A:ASP601 4.4 36.2 1.0 N A:VAL608 4.4 38.0 1.0 CA A:VAL608 4.5 37.4 1.0 CB A:ASP605 4.5 39.7 1.0 C A:ASP601 4.5 37.0 1.0 N A:GLU604 4.6 40.6 1.0 CB A:ASN603 4.6 38.2 1.0 N A:GLU602 4.7 37.3 1.0 CA A:ASP605 4.8 39.6 1.0 CA A:ASN603 4.8 38.5 1.0 CB A:ALA607 4.8 38.9 1.0 OD1 A:ASN609 4.8 35.5 1.0 C A:ASN603 4.8 40.3 1.0 N A:GLY606 4.9 40.2 1.0 N A:ASN609 4.9 35.8 1.0 C A:ASP605 5.0 39.9 1.0

Manganese 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 Manganese with other atoms in the Mn 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:Mn1702 b:43.5 occ:1.00 OD2 A:ASP752 2.1 38.5 1.0 NE2 A:HIS1299 2.1 33.5 1.0 OE1 A:GLU727 2.2 40.6 1.0 O A:HOH2087 2.3 35.1 1.0 O A:HOH1954 2.4 34.9 1.0 O A:HOH1843 2.4 36.1 1.0 CE1 A:HIS1299 3.1 33.0 1.0 CD A:GLU727 3.1 39.9 1.0 CG A:ASP752 3.1 37.4 1.0 CD2 A:HIS1299 3.2 32.6 1.0 OE2 A:GLU727 3.4 40.8 1.0 OD1 A:ASP752 3.6 38.5 1.0 O A:HOH1875 4.0 28.4 1.0 O A:HOH1892 4.2 34.1 1.0 CA A:SER1301 4.3 34.8 1.0 ND1 A:HIS1299 4.3 32.4 1.0 CG A:HIS1299 4.3 31.9 1.0 O A:HOH2290 4.3 37.2 1.0 O A:LEU1300 4.3 33.9 1.0 O A:HOH1945 4.4 33.4 1.0 CB A:ASP752 4.4 34.4 1.0 CG A:GLU727 4.5 36.1 1.0 N A:GLU1302 4.6 35.9 1.0 CB A:GLU727 4.8 35.5 1.0 OG A:SER683 4.8 34.6 1.0 CB A:SER1301 4.9 35.9 1.0 C A:SER1301 4.9 35.7 1.0 CB A:LEU751 5.0 34.0 1.0 N A:SER1301 5.0 34.5 1.0 C A:LEU1300 5.0 33.9 1.0

Manganese 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 Manganese with other atoms in the Mn 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:Mn1703 b:45.9 occ:1.00 O A:ALA1136 2.3 37.8 1.0 O A:GLY1108 2.3 34.8 1.0 O A:HOH2000 2.4 33.4 1.0 OD1 A:ASN1135 2.4 41.1 1.0 O A:HOH1826 2.5 33.3 1.0 OD2 A:ASP1248 2.5 40.1 1.0 OD1 A:ASP1248 2.7 38.1 1.0 CG A:ASP1248 2.9 38.4 1.0 C A:GLY1108 3.4 34.8 1.0 C A:ALA1136 3.5 38.2 1.0 CG A:ASN1135 3.6 40.9 1.0 CA A:GLY1108 3.8 34.2 1.0 N A:ALA1136 3.9 39.5 1.0 C A:ASN1135 4.1 40.7 1.0 CA A:ALA1136 4.2 39.1 1.0 ND2 A:ASN1135 4.3 40.9 1.0 OD1 A:ASP1249 4.4 40.3 1.0 CB A:ASP1248 4.4 35.2 1.0 OD1 A:ASN1110 4.5 37.7 1.0 O A:ASN1135 4.5 41.0 1.0 N A:MET1137 4.6 37.8 1.0 N A:PHE1109 4.6 35.2 1.0 NE2 A:HIS1203 4.6 34.9 1.0 O A:HOH2534 4.7 35.0 1.0 CB A:ASN1135 4.7 39.9 1.0 CA A:ASN1135 4.7 41.1 1.0 O A:HOH2279 4.7 40.9 1.0 CA A:MET1137 4.8 37.5 1.0 CB A:ALA1136 4.9 38.8 1.0 ND2 A:ASN1110 4.9 36.4 1.0 CB A:PHE1109 4.9 34.9 1.0 C A:PHE1109 5.0 36.2 1.0 CG A:ASN1110 5.0 36.6 1.0 O A:HOH2206 5.0 44.6 1.0 CG A:ASP1249 5.0 40.4 1.0

Manganese 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 Manganese with other atoms in the Mn 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:Mn1704 b:49.8 occ:1.00 O A:GLY1274 2.3 38.0 1.0 O A:TRP1325 2.3 37.8 1.0 OE2 A:GLU1276 2.3 45.6 1.0 O A:ASP1322 2.4 41.0 1.0 OD2 A:ASP1442 2.5 41.2 1.0 O A:HOH2030 2.5 38.1 1.0 OD1 A:ASP1442 2.6 38.6 1.0 CG A:ASP1442 2.9 39.1 1.0 C A:GLY1274 3.4 37.1 1.0 CD A:GLU1276 3.5 42.8 1.0 C A:TRP1325 3.5 37.2 1.0 C A:ASP1322 3.5 41.4 1.0 CA A:GLY1274 3.9 36.4 1.0 CG A:GLU1276 4.1 38.4 1.0 N A:TRP1325 4.1 37.0 1.0 CB A:ASP1322 4.1 49.5 1.0 CA A:ASP1322 4.3 43.5 1.0 CA A:TRP1325 4.3 36.9 1.0 N A:ASP1322 4.4 42.5 1.0 CB A:ASP1442 4.4 38.9 1.0 OG A:SER1326 4.4 39.5 1.0 N A:GLY1323 4.4 39.9 1.0 OE1 A:GLU1276 4.5 41.9 1.0 N A:SER1326 4.5 36.6 1.0 ND2 A:ASN1443 4.5 49.5 1.0 N A:PHE1275 4.5 36.6 1.0 O A:HOH3063 4.5 47.2 1.0 CA A:GLY1323 4.6 39.5 1.0 CA A:SER1326 4.7 36.7 1.0 CB A:TRP1325 4.8 37.0 1.0 N A:THR1324 4.8 38.6 1.0 C A:GLY1323 4.9 39.1 1.0 CB A:PHE1275 5.0 35.7 1.0 N A:GLU1276 5.0 37.0 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