Manganese in PDB 6qfo: Engbf Darpin Fusion 9B 3G124

The structure of Engbf Darpin Fusion 9B 3G124, PDB code: 6qfo 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)	33.51 / 2.30
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	193.470, 193.470, 123.770, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 20.4

The binding sites of Manganese atom in the Engbf Darpin Fusion 9B 3G124 (pdb code 6qfo). 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 9B 3G124, PDB code: 6qfo:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Engbf Darpin Fusion 9B 3G124


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 9B 3G124 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1701 b:67.4 occ:1.00 O A:GLY1108 2.3 57.0 1.0 O A:HOH1815 2.4 47.7 1.0 OD1 A:ASN1135 2.4 56.7 1.0 O A:ALA1136 2.4 61.9 1.0 OD2 A:ASP1248 2.4 59.0 1.0 O A:HOH1914 2.6 50.9 1.0 OD1 A:ASP1248 2.7 60.1 1.0 CG A:ASP1248 2.9 58.5 1.0 C A:GLY1108 3.4 55.9 1.0 C A:ALA1136 3.5 61.6 1.0 CG A:ASN1135 3.6 61.1 1.0 N A:ALA1136 3.9 55.5 1.0 CA A:GLY1108 3.9 52.5 1.0 C A:ASN1135 4.1 59.2 1.0 CA A:ALA1136 4.2 56.2 1.0 CB A:ASP1248 4.4 54.8 1.0 ND2 A:ASN1135 4.4 57.0 1.0 ND2 A:ASN1110 4.5 49.3 1.0 O A:ASN1135 4.5 58.3 1.0 OD1 A:ASP1249 4.5 62.0 1.0 N A:PHE1109 4.6 52.8 1.0 N A:MET1137 4.6 57.7 1.0 CA A:ASN1135 4.6 56.7 1.0 CB A:ASN1135 4.6 53.1 1.0 O A:HOH2323 4.6 58.1 1.0 NE2 A:HIS1203 4.6 53.7 1.0 O A:HOH2441 4.7 51.8 1.0 CB A:ALA1136 4.8 56.8 1.0 CA A:MET1137 4.9 56.9 1.0 OD2 A:ASP1249 4.9 70.7 1.0 O A:HOH2132 4.9 54.5 1.0 OD1 A:ASN1110 4.9 57.2 1.0 CB A:PHE1109 5.0 54.1 1.0

Manganese binding site 2 out of 4 in the Engbf Darpin Fusion 9B 3G124


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 9B 3G124 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1702 b:66.8 occ:1.00 OD1 A:ASN603 2.3 63.9 1.0 OD1 A:ASP601 2.4 63.9 1.0 OD1 A:ASP605 2.4 64.3 1.0 O A:ALA607 2.4 59.0 1.0 O A:HOH2005 2.5 57.1 1.0 OD2 A:ASP612 2.5 55.8 1.0 OD1 A:ASP612 2.6 57.3 1.0 CG A:ASP612 2.9 56.1 1.0 CG A:ASP605 3.3 63.0 1.0 CG A:ASN603 3.4 66.9 1.0 CG A:ASP601 3.5 64.5 1.0 C A:ALA607 3.6 60.7 1.0 OD2 A:ASP605 3.8 68.6 1.0 ND2 A:ASN603 3.9 53.8 1.0 N A:ASP605 4.1 57.8 1.0 CA A:ASP601 4.3 55.7 1.0 N A:ASN603 4.3 57.4 1.0 N A:ALA607 4.3 60.4 1.0 OD2 A:ASP601 4.3 71.1 1.0 CB A:ASP601 4.3 57.0 1.0 CB A:ASP612 4.4 51.0 1.0 CB A:ASP605 4.4 57.7 1.0 N A:VAL608 4.5 57.0 1.0 N A:GLU604 4.5 58.0 1.0 CA A:ALA607 4.5 58.9 1.0 CA A:VAL608 4.5 56.6 1.0 C A:ASP601 4.5 61.3 1.0 CB A:ASN603 4.6 56.7 1.0 N A:GLU602 4.7 58.3 1.0 CA A:ASP605 4.7 57.5 1.0 OD1 A:ASN609 4.7 51.2 1.0 CA A:ASN603 4.8 57.5 1.0 C A:ASN603 4.8 62.2 1.0 N A:GLY606 4.9 61.1 1.0 O A:HOH1818 4.9 72.6 1.0 N A:ASN609 4.9 56.5 1.0

Manganese binding site 3 out of 4 in the Engbf Darpin Fusion 9B 3G124


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 9B 3G124 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1703 b:68.9 occ:1.00 OD2 A:ASP752 2.1 56.3 1.0 O A:HOH2042 2.1 52.0 1.0 OE1 A:GLU727 2.2 69.4 1.0 NE2 A:HIS1299 2.2 56.2 1.0 O A:HOH1894 2.4 53.5 1.0 O A:HOH1843 2.5 55.6 1.0 CD A:GLU727 3.1 72.9 1.0 CE1 A:HIS1299 3.1 55.8 1.0 CG A:ASP752 3.1 56.6 1.0 CD2 A:HIS1299 3.2 56.4 1.0 OE2 A:GLU727 3.4 62.1 1.0 OD1 A:ASP752 3.6 56.7 1.0 O A:HOH1897 4.1 56.0 1.0 O A:HOH1907 4.2 53.5 1.0 ND1 A:HIS1299 4.3 56.9 1.0 CG A:HIS1299 4.3 55.3 1.0 CA A:SER1301 4.4 54.6 1.0 O A:HOH2162 4.4 57.3 1.0 O A:LEU1300 4.4 56.7 1.0 CG A:GLU727 4.4 59.7 1.0 CB A:ASP752 4.4 54.5 1.0 O A:HOH1891 4.5 54.5 1.0 N A:GLU1302 4.7 53.9 1.0 CB A:GLU727 4.8 54.4 1.0 OG A:SER683 4.8 57.7 1.0 CB A:SER1301 5.0 57.5 1.0 CB A:LEU751 5.0 56.1 1.0

Manganese binding site 4 out of 4 in the Engbf Darpin Fusion 9B 3G124


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 9B 3G124 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1704 b:74.3 occ:1.00 O A:TRP1325 2.3 66.6 1.0 O A:GLY1274 2.3 62.5 1.0 OE2 A:GLU1276 2.3 63.8 1.0 O A:ASP1322 2.4 68.8 1.0 O A:HOH1851 2.5 68.0 1.0 OD2 A:ASP1442 2.6 66.8 1.0 OD1 A:ASP1442 2.7 63.9 1.0 CG A:ASP1442 3.0 64.3 1.0 C A:GLY1274 3.4 61.7 1.0 C A:TRP1325 3.5 64.7 1.0 C A:ASP1322 3.5 67.8 1.0 OD1 A:ASP1322 3.5 99.2 1.0 CD A:GLU1276 3.5 67.3 1.0 CA A:GLY1274 3.9 57.5 1.0 N A:TRP1325 4.1 60.1 1.0 CG A:GLU1276 4.2 57.3 1.0 CA A:TRP1325 4.3 60.1 1.0 N A:GLY1323 4.3 62.6 1.0 CA A:GLY1323 4.3 61.9 1.0 O A:HOH2649 4.3 80.4 1.0 OG A:SER1326 4.4 66.3 1.0 N A:SER1326 4.5 60.4 1.0 N A:ASP1322 4.5 64.2 1.0 CA A:ASP1322 4.5 66.0 1.0 CG A:ASP1322 4.5 96.1 1.0 OE1 A:GLU1276 4.5 61.2 1.0 CB A:ASP1442 4.5 62.8 1.0 N A:PHE1275 4.6 57.1 1.0 CA A:SER1326 4.7 58.9 1.0 ND2 A:ASN1443 4.7 78.1 1.0 C A:GLY1323 4.7 65.4 1.0 N A:THR1324 4.7 61.1 1.0 CB A:TRP1325 4.8 58.9 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