Manganese 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
Chlorine	(Cl)	5 atoms

The binding sites of Manganese 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 Manganese atom.
In total 4 binding sites of Manganese where determined in the Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1E4V1 Construct, PDB code: 8a19:
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 : L1E4V1 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 : L1E4V1 Construct within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1701 b:48.4 occ:1.00 OD1 A:ASN603 2.3 43.9 1.0 O A:ALA607 2.3 41.0 1.0 OD1 A:ASP605 2.4 47.3 1.0 OD1 A:ASP601 2.4 40.8 1.0 OD1 A:ASP612 2.5 37.6 1.0 O A:HOH1902 2.5 36.9 1.0 OD2 A:ASP612 2.6 41.5 1.0 CG A:ASP612 2.8 38.5 1.0 CG A:ASN603 3.3 41.7 1.0 CG A:ASP605 3.4 46.4 1.0 C A:ALA607 3.5 40.8 1.0 CG A:ASP601 3.5 42.4 1.0 ND2 A:ASN603 3.8 40.8 1.0 OD2 A:ASP605 3.9 48.2 1.0 N A:ASP605 4.2 43.9 1.0 CA A:ASP601 4.2 39.4 1.0 N A:ALA607 4.2 43.3 1.0 N A:ASN603 4.3 40.0 1.0 CB A:ASP612 4.3 35.3 1.0 CB A:ASP601 4.4 39.6 1.0 CA A:ALA607 4.4 41.8 1.0 OD2 A:ASP601 4.4 45.4 1.0 N A:VAL608 4.4 39.5 1.0 CA A:VAL608 4.4 38.5 1.0 CB A:ASP605 4.5 44.4 1.0 C A:ASP601 4.5 40.0 1.0 N A:GLU604 4.5 42.9 1.0 CB A:ASN603 4.6 40.5 1.0 N A:GLU602 4.6 39.6 1.0 OD1 A:ASN609 4.7 39.3 1.0 CA A:ASN603 4.7 40.6 1.0 CA A:ASP605 4.7 43.9 1.0 C A:ASN603 4.7 42.3 1.0 N A:GLY606 4.8 44.2 1.0 CB A:ALA607 4.8 41.4 1.0 N A:ASN609 4.9 37.9 1.0

Manganese binding site 2 out of 4 in the Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1E4V1 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 : L1E4V1 Construct within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1702 b:51.1 occ:1.00 OD2 A:ASP752 2.1 44.5 1.0 OE1 A:GLU727 2.2 45.7 1.0 NE2 A:HIS1299 2.3 36.6 1.0 O A:HOH1956 2.3 39.0 1.0 O A:HOH2090 2.3 40.9 1.0 O A:HOH1822 2.5 43.1 1.0 CG A:ASP752 3.1 43.1 1.0 CD A:GLU727 3.2 43.5 1.0 CD2 A:HIS1299 3.2 36.0 1.0 CE1 A:HIS1299 3.3 37.0 1.0 OE2 A:GLU727 3.5 43.7 1.0 OD1 A:ASP752 3.5 44.9 1.0 O A:HOH1907 4.0 36.2 1.0 O A:HOH1817 4.3 35.7 1.0 CA A:SER1301 4.3 38.9 1.0 O A:HOH2258 4.3 41.0 1.0 O A:LEU1300 4.4 37.5 1.0 CG A:HIS1299 4.4 35.9 1.0 CB A:ASP752 4.4 39.4 1.0 ND1 A:HIS1299 4.4 37.0 1.0 O A:HOH1845 4.4 34.2 1.0 CG A:GLU727 4.5 38.9 1.0 N A:GLU1302 4.6 40.1 1.0 OG A:SER683 4.7 37.9 1.0 CB A:GLU727 4.8 38.0 1.0 CB A:SER1301 4.8 39.9 1.0 CB A:LEU751 4.9 38.0 1.0

Manganese binding site 3 out of 4 in the Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1E4V1 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 : L1E4V1 Construct within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1703 b:52.2 occ:1.00 OD1 A:ASN1135 2.4 43.7 1.0 O A:GLY1108 2.4 37.7 1.0 O A:HOH2058 2.4 37.1 1.0 O A:ALA1136 2.4 43.0 1.0 OD2 A:ASP1248 2.5 43.5 1.0 O A:HOH1808 2.5 39.4 1.0 OD1 A:ASP1248 2.7 42.1 1.0 CG A:ASP1248 3.0 42.3 1.0 C A:GLY1108 3.4 37.4 1.0 CG A:ASN1135 3.5 42.2 1.0 C A:ALA1136 3.6 42.1 1.0 CA A:GLY1108 3.9 37.3 1.0 N A:ALA1136 4.0 41.3 1.0 C A:ASN1135 4.1 42.1 1.0 ND2 A:ASN1135 4.3 41.8 1.0 CA A:ALA1136 4.3 41.4 1.0 OD1 A:ASP1249 4.4 45.4 1.0 OD1 A:ASN1110 4.4 39.2 1.0 CB A:ASP1248 4.5 40.0 1.0 O A:ASN1135 4.5 42.2 1.0 NE2 A:HIS1203 4.6 35.0 1.0 N A:PHE1109 4.6 37.2 1.0 CB A:ASN1135 4.6 41.7 1.0 N A:MET1137 4.6 41.4 1.0 O A:HOH2481 4.6 37.5 1.0 CA A:ASN1135 4.7 42.6 1.0 O A:HOH2366 4.7 41.6 1.0 CB A:ALA1136 4.9 41.0 1.0 CA A:MET1137 4.9 41.2 1.0 O A:HOH2278 4.9 48.6 1.0 C A:PHE1109 4.9 38.2 1.0 ND2 A:ASN1110 4.9 38.6 1.0 CG A:ASN1110 4.9 38.9 1.0 CB A:PHE1109 5.0 36.5 1.0 CG A:ASP1249 5.0 46.6 1.0

Manganese binding site 4 out of 4 in the Structure of A Leucinostatin Derivative Determined By Host Lattice Display : L1E4V1 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 : L1E4V1 Construct within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1704 b:56.1 occ:1.00 O A:GLY1274 2.3 46.1 1.0 O A:TRP1325 2.3 43.4 1.0 O A:ASP1322 2.4 45.7 1.0 OE2 A:GLU1276 2.5 49.0 1.0 OD2 A:ASP1442 2.5 44.9 1.0 O A:HOH2139 2.6 47.2 1.0 OD1 A:ASP1442 2.6 42.8 1.0 CG A:ASP1442 2.9 43.5 1.0 C A:GLY1274 3.4 44.9 1.0 C A:ASP1322 3.4 45.7 1.0 C A:TRP1325 3.5 42.4 1.0 CD A:GLU1276 3.6 46.4 1.0 CA A:GLY1274 3.9 43.7 1.0 CG A:GLU1276 4.1 41.6 1.0 N A:TRP1325 4.1 42.3 1.0 CA A:TRP1325 4.3 42.3 1.0 N A:GLY1323 4.3 44.5 1.0 CA A:ASP1322 4.3 47.0 1.0 CA A:GLY1323 4.4 44.1 1.0 CB A:ASP1322 4.4 52.6 1.0 N A:ASP1322 4.4 46.1 1.0 CB A:ASP1442 4.4 43.7 1.0 ND2 A:ASN1443 4.5 59.1 1.0 OG A:SER1326 4.5 44.9 1.0 N A:SER1326 4.5 41.7 1.0 N A:PHE1275 4.5 44.2 1.0 O A:HOH2831 4.6 45.6 1.0 OE1 A:GLU1276 4.6 49.1 1.0 C A:GLY1323 4.7 44.1 1.0 CA A:SER1326 4.8 41.4 1.0 CB A:TRP1325 4.8 42.3 1.0 N A:THR1324 4.8 43.6 1.0 CB A:PHE1275 4.9 43.2 1.0 N A:GLU1276 4.9 42.9 1.0 C A:PHE1275 5.0 44.1 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