Cobalt in PDB 7d1y: Crystal Structure of Ixodes Scapularis Glutaminyl Cyclase with Two Co Ions Bound to the Active Site

All present enzymatic activity of Crystal Structure of Ixodes Scapularis Glutaminyl Cyclase with Two Co Ions Bound to the Active Site:
2.3.2.5;

The structure of Crystal Structure of Ixodes Scapularis Glutaminyl Cyclase with Two Co Ions Bound to the Active Site, PDB code: 7d1y was solved by K.-F.Huang, J.-S.Huang, M.-L.Wu, W.-L.Hsieh, A.H.-J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.66, 71.146, 80.676, 90, 90, 90
R / Rfree (%)	18.6 / 22.5

The binding sites of Cobalt atom in the Crystal Structure of Ixodes Scapularis Glutaminyl Cyclase with Two Co Ions Bound to the Active Site (pdb code 7d1y). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Crystal Structure of Ixodes Scapularis Glutaminyl Cyclase with Two Co Ions Bound to the Active Site, PDB code: 7d1y:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Crystal Structure of Ixodes Scapularis Glutaminyl Cyclase with Two Co Ions Bound to the Active Site


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Ixodes Scapularis Glutaminyl Cyclase with Two Co Ions Bound to the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:18.4 occ:1.00 NE2 A:HIS322 1.9 20.1 1.0 O A:HOH652 1.9 20.8 1.0 OE2 A:GLU184 2.0 19.8 1.0 OD2 A:ASP144 2.0 17.6 1.0 CD A:GLU184 2.8 19.8 1.0 CG A:ASP144 2.8 17.8 1.0 OE1 A:GLU184 2.9 20.6 1.0 CD2 A:HIS322 2.9 20.5 1.0 CE1 A:HIS322 2.9 21.2 1.0 OD1 A:ASP144 3.0 16.5 1.0 CO A:CO402 3.3 30.2 1.0 NE1 A:TRP321 4.0 18.7 1.0 O A:HOH568 4.0 17.4 1.0 ND1 A:HIS322 4.1 22.2 1.0 CG A:HIS322 4.1 21.7 1.0 CG A:GLU184 4.2 17.7 1.0 OE1 A:GLU183 4.3 42.7 1.0 CB A:ASP144 4.3 16.9 1.0 O A:HOH674 4.3 35.5 1.0 CE2 A:TRP321 4.6 20.1 1.0 NE2 A:HIS128 4.7 17.7 1.0 O A:HOH520 4.7 18.7 1.0 CD2 A:LEU239 4.7 16.6 1.0 CD1 A:TRP321 4.7 19.8 1.0 CZ2 A:TRP321 4.9 21.1 1.0 CE1 A:HIS128 4.9 16.8 1.0

Cobalt binding site 2 out of 2 in the Crystal Structure of Ixodes Scapularis Glutaminyl Cyclase with Two Co Ions Bound to the Active Site


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of Ixodes Scapularis Glutaminyl Cyclase with Two Co Ions Bound to the Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Co402 b:30.2 occ:1.00 OD1 A:ASP144 2.2 16.5 1.0 O A:HOH652 2.3 20.8 1.0 NE2 A:HIS128 2.4 17.7 1.0 OD2 A:ASP238 2.5 26.0 1.0 OD1 A:ASP238 2.9 24.1 1.0 CG A:ASP238 3.0 21.9 1.0 OE2 A:GLU183 3.0 44.7 1.0 CD2 A:HIS128 3.2 17.0 1.0 CG A:ASP144 3.2 17.8 1.0 CO A:CO401 3.3 18.4 1.0 OE1 A:GLU183 3.4 42.7 1.0 CE1 A:HIS128 3.4 16.8 1.0 CD A:GLU183 3.5 40.2 1.0 OE2 A:GLU184 3.6 19.8 1.0 OD2 A:ASP144 3.7 17.6 1.0 O A:HOH674 3.9 35.5 1.0 OG A:SER145 4.0 27.1 1.0 CD2 A:LEU239 4.0 16.6 1.0 CD A:GLU184 4.3 19.8 1.0 CG A:HIS128 4.4 16.9 1.0 CB A:ASP144 4.5 16.9 1.0 ND1 A:HIS128 4.5 16.2 1.0 CB A:ASP238 4.5 19.9 1.0 OE1 A:GLU184 4.7 20.6 1.0 CA A:ASP144 4.7 16.9 1.0 O A:HOH537 4.7 16.7 1.0 CG A:GLU183 4.8 31.2 1.0 C A:ASP144 4.8 16.8 1.0 CG A:LEU239 4.9 15.7 1.0 O A:HOH565 5.0 29.5 1.0

K.F.Huang, J.S.Huang, M.L.Wu, W.L.Hsieh, K.C.Hsu, H.L.Hsu, T.P.Ko, A.H-J Wang. A Unique Carboxylic-Acid Hydrogen-Bond Network (Cahbn) Confers Glutaminyl Cyclase Activity on M28 Family Enzymes. J.Mol.Biol. 66960 2021.
ISSN: ESSN 1089-8638
PubMed: 33774034
DOI: 10.1016/J.JMB.2021.166960