Manganese in PDB 6qev: Engbf Darpin Fusion 4B B6

The structure of Engbf Darpin Fusion 4B B6, PDB code: 6qev 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)	48.69 / 2.70
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	194.770, 194.770, 123.710, 90.00, 90.00, 120.00
R / Rfree (%)	17.6 / 21.8

The binding sites of Manganese atom in the Engbf Darpin Fusion 4B B6 (pdb code 6qev). 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 B6, PDB code: 6qev:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Engbf Darpin Fusion 4B B6


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 B6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1701 b:72.0 occ:1.00 OD1 B:ASP605 2.3 73.8 1.0 OD1 B:ASN603 2.3 79.6 1.0 O B:ALA607 2.3 64.2 1.0 OD2 B:ASP612 2.4 67.9 1.0 OD1 B:ASP612 2.6 66.8 1.0 OD1 B:ASP601 2.7 60.9 1.0 CG B:ASP612 2.8 65.3 1.0 CG B:ASN603 3.3 74.3 1.0 C B:ALA607 3.4 63.4 1.0 CG B:ASP605 3.4 72.1 1.0 ND2 B:ASN603 3.7 59.3 1.0 CG B:ASP601 3.8 65.6 1.0 OD2 B:ASP605 3.8 79.2 1.0 OD1 B:ASN609 4.0 71.8 1.0 N B:VAL608 4.1 58.4 1.0 CA B:VAL608 4.2 56.7 1.0 N B:ASP605 4.3 62.2 1.0 CB B:ASP612 4.3 59.1 1.0 CA B:ALA607 4.4 58.9 1.0 CA B:ASP601 4.4 57.6 1.0 N B:ASN603 4.5 62.2 1.0 OD2 B:ASP601 4.5 77.1 1.0 CB B:ASP601 4.6 59.1 1.0 N B:ALA607 4.6 60.7 1.0 CB B:ASP605 4.6 62.6 1.0 N B:ASN609 4.6 56.0 1.0 CB B:ASN603 4.6 57.4 1.0 CG B:ASN609 4.7 74.1 1.0 C B:ASP601 4.7 63.2 1.0 CB B:ALA607 4.7 59.2 1.0 N B:GLU602 4.8 60.7 1.0 N B:GLU604 4.8 63.1 1.0 CA B:ASP605 4.8 61.9 1.0 CA B:ASN603 4.9 61.8 1.0 ND2 B:ASN609 4.9 71.7 1.0 C B:ASN603 5.0 66.4 1.0

Manganese binding site 2 out of 4 in the Engbf Darpin Fusion 4B B6


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 B6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1702 b:80.6 occ:1.00 OD2 B:ASP752 2.1 87.5 1.0 O B:HOH1829 2.1 63.6 1.0 NE2 B:HIS1299 2.3 62.9 1.0 O B:HOH1812 2.6 70.6 1.0 OE2 B:GLU727 2.9 70.4 1.0 CD B:GLU727 3.0 82.5 1.0 OE1 B:GLU727 3.0 97.2 1.0 CD2 B:HIS1299 3.1 62.8 1.0 CG B:ASP752 3.1 79.8 1.0 CE1 B:HIS1299 3.4 63.0 1.0 OD1 B:ASP752 3.6 82.1 1.0 CG B:GLU727 3.9 57.1 1.0 O B:HOH1839 4.2 58.4 1.0 O B:HOH2114 4.3 63.0 1.0 CG B:HIS1299 4.3 61.2 1.0 CB B:ASP752 4.3 61.4 1.0 OG B:SER683 4.4 69.0 1.0 O B:HOH1804 4.4 56.4 1.0 ND1 B:HIS1299 4.5 63.5 1.0 CA B:SER1301 4.7 57.6 1.0 CB B:GLU727 4.7 55.4 1.0 O B:LEU1300 4.7 61.3 1.0 CB B:LEU751 4.9 55.2 1.0 N B:GLU1302 5.0 61.1 1.0

Manganese binding site 3 out of 4 in the Engbf Darpin Fusion 4B B6


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 B6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1703 b:85.2 occ:1.00 O B:GLY1108 2.2 65.2 1.0 OD1 B:ASN1135 2.3 83.3 1.0 OD2 B:ASP1248 2.6 61.2 1.0 O B:ALA1136 2.7 60.4 1.0 OD1 B:ASP1248 2.9 64.0 1.0 CG B:ASP1248 3.1 61.8 1.0 C B:GLY1108 3.2 64.6 1.0 CG B:ASN1135 3.5 75.0 1.0 CA B:GLY1108 3.6 58.2 1.0 C B:ALA1136 3.9 60.6 1.0 OD1 B:ASN1110 4.0 61.7 1.0 ND2 B:ASN1135 4.1 57.5 1.0 N B:ALA1136 4.2 60.0 1.0 OD1 B:ASP1249 4.3 75.9 1.0 C B:ASN1135 4.4 66.1 1.0 N B:PHE1109 4.4 61.0 1.0 CA B:ALA1136 4.5 58.5 1.0 CB B:ASP1248 4.6 57.5 1.0 CG B:ASN1110 4.7 68.8 1.0 CB B:ASN1135 4.7 60.9 1.0 NE2 B:HIS1203 4.7 61.5 1.0 ND2 B:ASN1110 4.8 61.4 1.0 CA B:ASN1135 4.8 63.8 1.0 OD2 B:ASP1249 4.9 79.9 1.0 CG B:ASP1249 4.9 75.9 1.0 O B:ASN1135 4.9 66.6 1.0 CB B:ALA1136 5.0 58.9 1.0 N B:MET1137 5.0 56.3 1.0

Manganese binding site 4 out of 4 in the Engbf Darpin Fusion 4B B6


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 B6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1704 b:85.1 occ:1.00 O B:GLY1274 2.1 67.3 1.0 O B:ASP1322 2.4 66.9 1.0 O B:TRP1325 2.5 63.5 1.0 OD1 B:ASP1442 2.5 68.7 1.0 OD2 B:ASP1442 2.8 80.4 1.0 OE2 B:GLU1276 2.9 72.7 1.0 CG B:ASP1442 3.0 72.1 1.0 C B:GLY1274 3.2 66.3 1.0 C B:ASP1322 3.5 68.1 1.0 C B:TRP1325 3.7 63.1 1.0 CA B:GLY1274 3.7 62.3 1.0 CD B:GLU1276 3.8 79.9 1.0 CG B:GLU1276 4.0 70.2 1.0 OD1 B:ASN1443 4.2 95.0 1.0 O B:HOH2249 4.2 65.4 1.0 N B:GLY1323 4.3 63.9 1.0 N B:TRP1325 4.3 61.4 1.0 CA B:ASP1322 4.4 66.3 1.0 N B:PHE1275 4.4 62.0 1.0 CA B:GLY1323 4.4 63.0 1.0 CB B:ASP1322 4.4 69.6 1.0 CA B:TRP1325 4.5 59.6 1.0 CB B:ASP1442 4.5 68.0 1.0 N B:ASP1322 4.6 65.7 1.0 N B:SER1326 4.7 56.6 1.0 OG B:SER1326 4.7 59.2 1.0 C B:GLY1323 4.9 68.6 1.0 N B:THR1324 4.9 63.9 1.0 CB B:TRP1325 4.9 57.5 1.0 N B:GLU1276 4.9 62.8 1.0 OE1 B:GLU1276 4.9 68.7 1.0 CA B:SER1326 5.0 55.6 1.0 CB B:PHE1275 5.0 61.9 1.0 CA B:PHE1275 5.0 61.3 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