Manganese in PDB 6sh9: Engbf Darpin Fusion 4B D12

All present enzymatic activity of Engbf Darpin Fusion 4B D12:
3.2.1.97;

The structure of Engbf Darpin Fusion 4B D12, PDB code: 6sh9 was solved by P.Ernst, A.Pluckthun, P.R.E.Mittl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.20 / 2.40
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	192.010, 192.010, 122.050, 90.00, 90.00, 120.00
R / Rfree (%)	16.1 / 19.3

The binding sites of Manganese atom in the Engbf Darpin Fusion 4B D12 (pdb code 6sh9). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Engbf Darpin Fusion 4B D12, PDB code: 6sh9:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Engbf Darpin Fusion 4B D12


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Engbf Darpin Fusion 4B D12 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1702 b:47.4 occ:1.00 OE1 B:GLU727 2.0 62.5 1.0 OD2 B:ASP752 2.1 56.7 1.0 O B:HOH2083 2.1 41.9 1.0 O B:HOH2012 2.1 43.8 1.0 NE2 B:HIS1299 2.2 43.2 1.0 O B:HOH1883 2.3 53.3 1.0 CD B:GLU727 3.0 73.5 1.0 CD2 B:HIS1299 3.1 43.2 1.0 CG B:ASP752 3.1 54.3 1.0 CE1 B:HIS1299 3.3 42.7 1.0 OE2 B:GLU727 3.4 64.2 1.0 OD1 B:ASP752 3.6 55.3 1.0 O B:HOH1805 4.1 48.2 1.0 O B:HOH1845 4.2 40.8 1.0 O B:HOH1828 4.2 49.4 1.0 CA B:SER1301 4.3 42.2 1.0 CG B:HIS1299 4.3 42.7 1.0 CB B:ASP752 4.4 47.2 1.0 O B:LEU1300 4.4 40.9 1.0 ND1 B:HIS1299 4.4 44.0 1.0 CG B:GLU727 4.4 58.9 1.0 O B:HOH2363 4.4 42.4 1.0 N B:GLU1302 4.6 48.6 1.0 CB B:GLU727 4.8 49.6 1.0 CB B:SER1301 4.8 43.6 1.0 OG B:SER683 4.8 48.4 1.0

Manganese binding site 2 out of 4 in the Engbf Darpin Fusion 4B D12


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Engbf Darpin Fusion 4B D12 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1703 b:67.1 occ:1.00 O B:TRP1325 2.3 51.4 1.0 O B:GLY1274 2.3 52.0 1.0 O B:ASP1322 2.4 49.8 1.0 OE2 B:GLU1276 2.4 52.3 1.0 O B:HOH2097 2.6 49.2 1.0 OD2 B:ASP1442 2.6 55.8 1.0 OD1 B:ASP1442 2.7 52.1 1.0 CG B:ASP1442 3.0 51.7 1.0 C B:GLY1274 3.4 51.1 1.0 C B:ASP1322 3.5 50.5 1.0 C B:TRP1325 3.5 49.8 1.0 CD B:GLU1276 3.6 60.1 1.0 CA B:GLY1274 3.9 46.5 1.0 CG B:GLU1276 4.1 48.4 1.0 N B:TRP1325 4.1 46.0 1.0 CB B:ASP1322 4.3 51.5 1.0 CA B:TRP1325 4.3 46.0 1.0 CA B:ASP1322 4.3 48.7 1.0 ND2 B:ASN1443 4.3 61.3 1.0 N B:GLY1323 4.4 46.5 1.0 OG B:SER1326 4.4 53.4 1.0 N B:SER1326 4.5 44.5 1.0 N B:ASP1322 4.5 48.9 1.0 CA B:GLY1323 4.5 46.2 1.0 CB B:ASP1442 4.5 47.6 1.0 N B:PHE1275 4.5 46.1 1.0 OE1 B:GLU1276 4.6 50.0 1.0 CA B:SER1326 4.7 42.8 1.0 CB B:TRP1325 4.8 45.1 1.0 N B:THR1324 4.8 46.5 1.0 C B:GLY1323 4.8 50.9 1.0 O B:HOH2646 4.9 56.9 1.0 N B:GLU1276 4.9 44.9 1.0

Manganese binding site 3 out of 4 in the Engbf Darpin Fusion 4B D12


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Engbf Darpin Fusion 4B D12 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1704 b:61.3 occ:1.00 O B:GLY1108 2.3 49.4 1.0 OD1 B:ASN1135 2.3 54.9 1.0 O B:ALA1136 2.4 53.3 1.0 O B:HOH1843 2.4 51.3 1.0 OD2 B:ASP1248 2.5 50.6 1.0 O B:HOH1847 2.7 51.3 1.0 OD1 B:ASP1248 2.8 54.9 1.0 CG B:ASP1248 3.0 53.0 1.0 C B:GLY1108 3.4 49.2 1.0 C B:ALA1136 3.5 53.2 1.0 CG B:ASN1135 3.5 59.3 1.0 CA B:GLY1108 3.9 46.0 1.0 N B:ALA1136 4.0 50.1 1.0 C B:ASN1135 4.2 55.6 1.0 CA B:ALA1136 4.2 49.2 1.0 ND2 B:ASN1135 4.3 47.1 1.0 CB B:ASP1248 4.5 49.7 1.0 N B:PHE1109 4.6 45.4 1.0 N B:MET1137 4.6 49.1 1.0 OD1 B:ASP1249 4.6 65.6 1.0 NE2 B:HIS1203 4.6 45.8 1.0 O B:ASN1135 4.6 55.0 1.0 CB B:ASN1135 4.6 50.7 1.0 OD1 B:ASN1110 4.6 45.7 1.0 CA B:ASN1135 4.7 54.0 1.0 O B:HOH2344 4.7 52.2 1.0 O B:HOH2208 4.8 56.3 1.0 O B:HOH2381 4.8 48.1 1.0 CB B:ALA1136 4.8 49.5 1.0 OD2 B:ASP1249 4.9 72.2 1.0 CA B:MET1137 4.9 48.0 1.0 CG B:ASP1249 5.0 65.4 1.0 CB B:PHE1109 5.0 45.5 1.0

Manganese binding site 4 out of 4 in the Engbf Darpin Fusion 4B D12


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Engbf Darpin Fusion 4B D12 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1705 b:61.6 occ:1.00 OD1 B:ASP601 2.2 53.5 1.0 OD1 B:ASN603 2.2 55.7 1.0 OD1 B:ASP605 2.3 59.5 1.0 O B:ALA607 2.3 52.8 1.0 O B:HOH1896 2.4 43.4 1.0 OD1 B:ASP612 2.5 46.6 1.0 OD2 B:ASP612 2.8 52.3 1.0 CG B:ASP612 3.0 48.6 1.0 CG B:ASP601 3.3 54.5 1.0 CG B:ASP605 3.3 59.2 1.0 CG B:ASN603 3.4 53.4 1.0 C B:ALA607 3.5 52.4 1.0 ND2 B:ASN603 3.9 38.2 1.0 OD2 B:ASP605 4.0 63.9 1.0 CA B:ASP601 4.1 47.2 1.0 CB B:ASP601 4.1 48.5 1.0 N B:ALA607 4.2 51.9 1.0 OD2 B:ASP601 4.2 58.6 1.0 N B:ASP605 4.2 52.3 1.0 CB B:ASP605 4.3 52.5 1.0 CA B:ALA607 4.3 50.2 1.0 N B:ASN603 4.3 52.2 1.0 N B:VAL608 4.4 47.8 1.0 CA B:VAL608 4.5 46.6 1.0 CB B:ASP612 4.5 46.5 1.0 C B:ASP601 4.5 52.7 1.0 N B:GLU604 4.5 51.5 1.0 CB B:ASN603 4.6 47.3 1.0 N B:GLU602 4.6 50.6 1.0 CA B:ASP605 4.7 51.6 1.0 CA B:ASN603 4.8 51.5 1.0 CB B:ALA607 4.8 50.5 1.0 OD1 B:ASN609 4.8 44.9 1.0 C B:ASN603 4.8 55.4 1.0 N B:GLY606 4.8 53.5 1.0 N B:ASN609 5.0 45.0 1.0 C B:ASP605 5.0 57.1 1.0

P.Ernst, A.Pluckthun, P.R.E.Mittl. Structural Analysis of Biological Targets By Host:Guest Crystal Lattice Engineering. Sci Rep V. 9 15199 2019.
ISSN: ESSN 2045-2322
PubMed: 31645583
DOI: 10.1038/S41598-019-51017-Y