Manganese in PDB 6qfk: Engbf Darpin Fusion 4B G10

The structure of Engbf Darpin Fusion 4B G10, PDB code: 6qfk 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)	29.25 / 2.00
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	192.893, 192.893, 122.922, 90.00, 90.00, 120.00
R / Rfree (%)	15.4 / 17.6

The binding sites of Manganese atom in the Engbf Darpin Fusion 4B G10 (pdb code 6qfk). 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 G10, PDB code: 6qfk:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Engbf Darpin Fusion 4B G10


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 G10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1701 b:39.1 occ:1.00 OD1 A:ASP601 2.2 33.2 1.0 O A:ALA607 2.3 34.6 1.0 OD1 A:ASP605 2.3 37.0 1.0 O A:HOH2515 2.4 30.9 1.0 OD1 A:ASN603 2.4 32.6 1.0 OD2 A:ASP612 2.4 34.4 1.0 OD1 A:ASP612 2.6 32.4 1.0 CG A:ASP612 2.8 33.2 1.0 CG A:ASP605 3.3 38.7 1.0 CG A:ASN603 3.4 36.9 1.0 CG A:ASP601 3.4 37.0 1.0 C A:ALA607 3.5 36.6 1.0 OD2 A:ASP605 3.8 39.8 1.0 ND2 A:ASN603 3.8 29.2 1.0 N A:ASP605 4.1 38.0 1.0 N A:ALA607 4.2 36.2 1.0 OD2 A:ASP601 4.2 40.0 1.0 CA A:ASP601 4.3 32.0 1.0 CB A:ASP601 4.3 33.3 1.0 CA A:ALA607 4.4 34.5 1.0 CB A:ASP612 4.4 30.1 1.0 N A:ASN603 4.4 33.4 1.0 N A:VAL608 4.4 32.7 1.0 CA A:VAL608 4.4 32.6 1.0 CB A:ASP605 4.5 36.8 1.0 N A:GLU604 4.5 37.6 1.0 C A:ASP601 4.6 36.7 1.0 CB A:ASN603 4.7 29.1 1.0 OD1 A:ASN609 4.7 30.7 1.0 N A:GLU602 4.7 33.9 1.0 CA A:ASP605 4.7 36.5 1.0 CB A:ALA607 4.8 34.5 1.0 CA A:ASN603 4.8 33.5 1.0 C A:ASN603 4.8 39.2 1.0 N A:ASN609 4.8 30.1 1.0 N A:GLY606 4.9 37.2 1.0

Manganese binding site 2 out of 4 in the Engbf Darpin Fusion 4B G10


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 G10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1702 b:42.0 occ:1.00 OE1 A:GLU727 2.1 35.9 1.0 OD2 A:ASP752 2.1 35.7 1.0 O A:HOH2241 2.2 30.0 1.0 NE2 A:HIS1299 2.2 30.4 1.0 O A:HOH1861 2.2 32.3 1.0 O A:HOH1863 2.3 32.3 1.0 CG A:ASP752 3.1 35.3 1.0 CD A:GLU727 3.1 39.5 1.0 CD2 A:HIS1299 3.2 30.9 1.0 CE1 A:HIS1299 3.3 30.5 1.0 OE2 A:GLU727 3.5 32.0 1.0 OD1 A:ASP752 3.5 37.2 1.0 O A:HOH1906 4.0 29.0 1.0 O A:HOH2046 4.2 29.4 1.0 O A:HOH2561 4.3 29.3 1.0 CA A:SER1301 4.3 30.0 1.0 CG A:HIS1299 4.3 30.6 1.0 O A:LEU1300 4.4 32.4 1.0 ND1 A:HIS1299 4.4 31.8 1.0 O A:HOH1823 4.4 32.0 1.0 CB A:ASP752 4.4 32.3 1.0 CG A:GLU727 4.4 31.4 1.0 N A:GLU1302 4.7 31.4 1.0 CB A:GLU727 4.8 30.7 1.0 OG A:SER683 4.8 33.5 1.0 CB A:SER1301 4.9 30.6 1.0 CB A:LEU751 5.0 31.7 1.0

Manganese binding site 3 out of 4 in the Engbf Darpin Fusion 4B G10


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 G10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1703 b:42.5 occ:1.00 OD2 A:ASP1248 2.4 35.1 1.0 O A:ALA1136 2.4 34.8 1.0 O A:GLY1108 2.4 31.2 1.0 OD1 A:ASN1135 2.4 31.8 1.0 O A:HOH1829 2.4 30.2 1.0 O A:HOH1902 2.5 32.1 1.0 OD1 A:ASP1248 2.7 29.1 1.0 CG A:ASP1248 2.9 31.1 1.0 C A:GLY1108 3.4 32.8 1.0 C A:ALA1136 3.5 37.0 1.0 CG A:ASN1135 3.6 40.3 1.0 CA A:GLY1108 3.9 30.1 1.0 N A:ALA1136 4.0 33.0 1.0 C A:ASN1135 4.1 36.7 1.0 CA A:ALA1136 4.3 33.2 1.0 ND2 A:ASN1135 4.3 33.7 1.0 CB A:ASP1248 4.4 28.9 1.0 OD1 A:ASP1249 4.4 39.2 1.0 O A:ASN1135 4.5 36.1 1.0 NE2 A:HIS1203 4.6 32.7 1.0 N A:MET1137 4.6 34.7 1.0 N A:PHE1109 4.6 31.7 1.0 OD1 A:ASN1110 4.6 36.8 1.0 O A:HOH2470 4.7 36.9 1.0 CB A:ASN1135 4.7 34.6 1.0 O A:HOH2756 4.7 35.5 1.0 CA A:ASN1135 4.7 35.1 1.0 CA A:MET1137 4.8 33.7 1.0 CB A:ALA1136 4.9 33.9 1.0 ND2 A:ASN1110 4.9 30.5 1.0 OD2 A:ASP1249 4.9 49.1 1.0 O A:HOH2415 5.0 36.8 1.0 CG A:ASP1249 5.0 42.0 1.0 CB A:PHE1109 5.0 32.0 1.0

Manganese binding site 4 out of 4 in the Engbf Darpin Fusion 4B G10


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 G10 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1704 b:43.8 occ:1.00 O A:GLY1274 2.3 34.5 1.0 O A:TRP1325 2.3 34.9 1.0 OE2 A:GLU1276 2.3 35.5 1.0 O A:ASP1322 2.4 34.7 1.0 OD2 A:ASP1442 2.5 36.0 1.0 O A:HOH2439 2.5 35.2 1.0 OD1 A:ASP1442 2.6 36.4 1.0 CG A:ASP1442 2.9 35.4 1.0 C A:GLY1274 3.4 36.4 1.0 C A:ASP1322 3.5 38.0 1.0 C A:TRP1325 3.5 36.0 1.0 CD A:GLU1276 3.5 36.0 1.0 CA A:GLY1274 4.0 33.6 1.0 N A:TRP1325 4.1 33.8 1.0 CG A:GLU1276 4.1 34.0 1.0 CB A:ASP1322 4.2 41.0 1.0 CA A:TRP1325 4.3 33.1 1.0 CA A:ASP1322 4.3 37.6 1.0 N A:ASP1322 4.4 37.5 1.0 OG A:SER1326 4.4 36.1 1.0 CB A:ASP1442 4.4 36.0 1.0 N A:GLY1323 4.4 35.3 1.0 OE1 A:GLU1276 4.5 38.1 1.0 N A:SER1326 4.5 32.8 1.0 ND2 A:ASN1443 4.5 48.9 1.0 N A:PHE1275 4.5 32.8 1.0 CA A:GLY1323 4.6 34.8 1.0 O A:HOH3153 4.6 43.3 1.0 CA A:SER1326 4.7 31.5 1.0 CB A:TRP1325 4.8 32.1 1.0 N A:THR1324 4.8 33.0 1.0 C A:GLY1323 4.9 37.2 1.0 CB A:PHE1275 4.9 34.3 1.0 N A:GLU1276 4.9 33.1 1.0 C A:PHE1275 5.0 36.7 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