Manganese in PDB 6qep: Engbf Darpin Fusion 4B H14

The structure of Engbf Darpin Fusion 4B H14, PDB code: 6qep 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)	46.28 / 2.60
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	192.690, 192.690, 123.940, 90.00, 90.00, 120.00
R / Rfree (%)	17.7 / 21.5

The binding sites of Manganese atom in the Engbf Darpin Fusion 4B H14 (pdb code 6qep). 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 H14, PDB code: 6qep:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Engbf Darpin Fusion 4B H14


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 H14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1703 b:91.2 occ:1.00 O A:GLY1274 2.2 82.4 1.0 O A:ASP1322 2.3 80.4 1.0 O A:TRP1325 2.4 74.5 1.0 OE2 A:GLU1276 2.4 77.9 1.0 OD1 A:ASP1442 2.6 77.5 1.0 OD2 A:ASP1442 2.8 79.7 1.0 CG A:ASP1442 3.0 78.3 1.0 C A:GLY1274 3.3 80.8 1.0 C A:ASP1322 3.3 78.7 1.0 O A:HOH2275 3.4 74.2 1.0 CD A:GLU1276 3.5 85.6 1.0 C A:TRP1325 3.6 72.6 1.0 CA A:GLY1274 3.8 76.6 1.0 CG A:GLU1276 4.1 72.1 1.0 N A:TRP1325 4.2 69.4 1.0 CB A:ASP1322 4.2 81.8 1.0 N A:GLY1323 4.2 71.9 1.0 CA A:ASP1322 4.2 77.6 1.0 CA A:TRP1325 4.3 68.9 1.0 CA A:GLY1323 4.3 70.2 1.0 ND2 A:ASN1443 4.4 0.7 1.0 N A:PHE1275 4.5 75.9 1.0 N A:ASP1322 4.5 76.9 1.0 CB A:ASP1442 4.6 72.0 1.0 N A:SER1326 4.6 67.3 1.0 OE1 A:GLU1276 4.6 70.3 1.0 OG A:SER1326 4.7 73.8 1.0 C A:GLY1323 4.8 74.3 1.0 N A:THR1324 4.8 68.6 1.0 CB A:TRP1325 4.9 67.1 1.0 CA A:SER1326 4.9 67.6 1.0 CG1 A:VAL1320 5.0 75.7 1.0 C A:PHE1275 5.0 78.3 1.0 CB A:PHE1275 5.0 75.8 1.0 N A:GLU1276 5.0 74.5 1.0

Manganese binding site 2 out of 4 in the Engbf Darpin Fusion 4B H14


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 H14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1704 b:72.5 occ:1.00 OE1 A:GLU727 2.0 0.3 1.0 NE2 A:HIS1299 2.1 67.4 1.0 O A:HOH1927 2.2 49.2 1.0 OD2 A:ASP752 2.3 65.5 1.0 O A:HOH1940 2.4 63.3 1.0 O A:HOH1809 2.6 71.4 1.0 CD A:GLU727 2.8 86.2 1.0 CD2 A:HIS1299 3.1 67.1 1.0 CE1 A:HIS1299 3.1 67.8 1.0 CG A:ASP752 3.3 69.4 1.0 CG A:GLU727 3.4 73.6 1.0 OE2 A:GLU727 3.6 65.6 1.0 OD1 A:ASP752 3.9 73.7 1.0 O A:HOH1869 3.9 59.8 1.0 O A:HOH1838 4.2 69.8 1.0 CG A:HIS1299 4.3 66.7 1.0 ND1 A:HIS1299 4.3 69.0 1.0 CA A:SER1301 4.4 60.1 1.0 O A:HOH1991 4.4 59.2 1.0 O A:LEU1300 4.4 62.3 1.0 CB A:ASP752 4.5 63.7 1.0 N A:GLU1302 4.6 60.3 1.0 O A:HOH1858 4.6 66.8 1.0 OG A:SER683 4.8 67.3 1.0 CB A:GLU727 4.9 61.6 1.0 CB A:LEU751 4.9 64.9 1.0 CB A:SER1301 5.0 63.1 1.0

Manganese binding site 3 out of 4 in the Engbf Darpin Fusion 4B H14


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 H14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1705 b:78.1 occ:1.00 OD1 A:ASP605 2.2 63.4 1.0 O A:HOH1833 2.2 68.1 1.0 OD1 A:ASN603 2.3 71.0 1.0 OD2 A:ASP612 2.3 60.4 1.0 O A:ALA607 2.4 66.4 1.0 OD1 A:ASP601 2.5 72.4 1.0 OD1 A:ASP612 2.6 66.1 1.0 CG A:ASP612 2.8 64.3 1.0 CG A:ASP605 3.2 63.8 1.0 CG A:ASN603 3.3 68.0 1.0 CG A:ASP601 3.6 72.1 1.0 C A:ALA607 3.6 66.3 1.0 ND2 A:ASN603 3.8 52.5 1.0 OD2 A:ASP605 3.8 68.4 1.0 N A:ASP605 4.1 63.5 1.0 N A:ALA607 4.2 66.0 1.0 N A:ASN603 4.2 62.5 1.0 CA A:ASP601 4.3 62.3 1.0 CB A:ASP612 4.3 61.7 1.0 CB A:ASP605 4.3 61.0 1.0 OD1 A:ASN609 4.3 68.1 1.0 CB A:ASP601 4.3 64.4 1.0 OD2 A:ASP601 4.4 76.7 1.0 CA A:ALA607 4.4 64.6 1.0 N A:VAL608 4.5 61.8 1.0 CA A:VAL608 4.5 61.4 1.0 C A:ASP601 4.5 65.3 1.0 CB A:ASN603 4.6 59.6 1.0 N A:GLU604 4.6 64.9 1.0 N A:GLU602 4.6 59.1 1.0 CA A:ASP605 4.6 61.9 1.0 CB A:ALA607 4.7 64.6 1.0 CA A:ASN603 4.7 62.6 1.0 C A:ASN603 4.8 68.9 1.0 N A:GLY606 4.9 67.4 1.0 CG A:ASN609 4.9 76.6 1.0 ND2 A:ASN609 4.9 73.0 1.0 N A:ASN609 4.9 62.2 1.0 C A:ASP605 5.0 70.5 1.0 CA A:ASP612 5.0 59.2 1.0

Manganese binding site 4 out of 4 in the Engbf Darpin Fusion 4B H14


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 H14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1706 b:83.3 occ:1.00 OD1 A:ASN1135 2.1 73.6 1.0 O A:GLY1108 2.4 60.9 1.0 O A:ALA1136 2.4 72.8 1.0 OD2 A:ASP1248 2.5 60.6 1.0 OD1 A:ASP1248 3.0 59.8 1.0 CG A:ASP1248 3.1 61.4 1.0 CG A:ASN1135 3.3 78.2 1.0 C A:GLY1108 3.4 63.4 1.0 C A:ALA1136 3.6 70.1 1.0 N A:ALA1136 3.8 60.8 1.0 CA A:GLY1108 3.9 60.4 1.0 ND2 A:ASN1135 4.0 65.6 1.0 C A:ASN1135 4.1 68.3 1.0 ND2 A:ASN1110 4.2 50.5 1.0 O A:HOH2135 4.2 57.8 1.0 CA A:ALA1136 4.2 60.5 1.0 O A:HOH2057 4.3 64.0 1.0 OD1 A:ASP1249 4.3 76.8 1.0 CB A:ASN1135 4.4 67.1 1.0 CA A:ASN1135 4.5 66.6 1.0 O A:ASN1135 4.5 69.4 1.0 CB A:ASP1248 4.6 65.4 1.0 N A:PHE1109 4.6 62.0 1.0 NE2 A:HIS1203 4.7 61.3 1.0 N A:MET1137 4.7 66.2 1.0 OD2 A:ASP1249 4.9 76.8 1.0 CG A:ASP1249 4.9 74.1 1.0 CB A:ALA1136 4.9 60.6 1.0 CG A:ASN1110 5.0 68.8 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