Cobalt in PDB 4u6j: Hsmetap in Complex with Methionine

All present enzymatic activity of Hsmetap in Complex with Methionine:
3.4.11.18;

The structure of Hsmetap in Complex with Methionine, PDB code: 4u6j was solved by T.Arya, A.Addlagatta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.53 / 1.56
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.446, 77.340, 48.440, 90.00, 90.93, 90.00
R / Rfree (%)	12.5 / 17.6

The structure of Hsmetap in Complex with Methionine also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Cobalt atom in the Hsmetap in Complex with Methionine (pdb code 4u6j). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Hsmetap in Complex with Methionine, PDB code: 4u6j:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Hsmetap in Complex with Methionine


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Hsmetap in Complex with Methionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:15.0 occ:0.90 O A:MET405 1.9 16.7 1.0 OE2 A:GLU367 2.0 13.6 1.0 NE2 A:HIS303 2.1 11.8 1.0 OD2 A:ASP240 2.1 13.7 1.0 OE1 A:GLU336 2.2 15.8 1.0 C A:MET405 2.8 17.6 1.0 OXT A:MET405 3.0 18.6 1.0 CD A:GLU367 3.0 11.6 1.0 CD2 A:HIS303 3.0 16.9 1.0 CE1 A:HIS303 3.0 16.1 1.0 CG A:ASP240 3.1 15.6 1.0 CD A:GLU336 3.1 14.5 1.0 CO A:CO402 3.3 14.6 0.9 OE1 A:GLU367 3.4 14.8 1.0 OE2 A:GLU336 3.5 19.6 1.0 OD1 A:ASP240 3.5 14.1 1.0 OG1 A:THR334 3.6 15.0 1.0 CG2 A:THR334 3.9 14.9 1.0 O A:HOH1043 3.9 59.2 1.0 CB A:THR334 4.1 14.7 1.0 CA A:MET405 4.1 18.5 1.0 ND1 A:HIS303 4.1 14.8 1.0 CG A:HIS303 4.2 13.3 1.0 CB A:ASP240 4.3 14.2 1.0 CG A:GLU367 4.3 12.8 1.0 N A:MET405 4.3 16.1 1.0 CG A:GLU336 4.4 14.2 1.0 O A:HOH629 4.6 18.9 1.0 NE2 A:HIS310 4.8 18.5 1.0 CB A:GLU336 4.8 13.7 1.0 OD2 A:ASP229 5.0 16.5 1.0

Cobalt binding site 2 out of 2 in the Hsmetap in Complex with Methionine


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Hsmetap in Complex with Methionine within 5.0Å range: probe atom residue distance (Å) B Occ A:Co402 b:14.6 occ:0.90 OD1 A:ASP240 2.0 14.1 1.0 OD1 A:ASP229 2.0 13.8 1.0 O A:MET405 2.1 16.7 1.0 OE1 A:GLU367 2.1 14.8 1.0 OD2 A:ASP229 2.2 16.5 1.0 N A:MET405 2.2 16.1 1.0 CG A:ASP229 2.4 13.4 1.0 C A:MET405 2.8 17.6 1.0 CA A:MET405 2.9 18.5 1.0 CG A:ASP240 3.0 15.6 1.0 CD A:GLU367 3.1 11.6 1.0 OD2 A:ASP240 3.3 13.7 1.0 OE2 A:GLU367 3.3 13.6 1.0 CO A:CO401 3.3 15.0 0.9 OG1 A:THR231 3.9 15.6 1.0 CB A:ASP229 4.0 11.5 1.0 OXT A:MET405 4.0 18.6 1.0 ND2 A:ASN242 4.2 13.4 1.0 O A:HOH685 4.3 20.1 1.0 CB A:MET405 4.4 22.9 1.0 CB A:ASP240 4.4 14.2 1.0 O A:LEU241 4.4 12.1 1.0 CG A:GLU367 4.4 12.8 1.0 N A:LEU241 4.4 12.6 1.0 O A:ILE230 4.5 13.3 1.0 O A:HOH629 4.5 18.9 1.0 O A:HOH594 4.5 15.6 1.0 C A:LEU241 4.7 11.7 1.0 OE1 A:GLU336 4.8 15.8 1.0 C A:ASP240 4.8 13.3 1.0 OE2 A:GLU336 4.8 19.6 1.0 CA A:ASP240 4.8 13.7 1.0 CA A:ASP229 4.8 9.9 1.0 CB A:GLU367 4.9 10.9 1.0 CB A:ASN242 4.9 13.4 1.0 N A:ILE230 5.0 12.1 1.0 CA A:LEU241 5.0 13.5 1.0 C A:ASP229 5.0 10.4 1.0

T.Arya, R.Reddi, C.Kishor, R.J.Ganji, S.Bhukya, R.Gumpena, S.Mcgowan, M.Drag, A.Addlagatta. Identification of the Molecular Basis of Inhibitor Selectivity Between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem. V. 58 2350 2015.
ISSN: ISSN 0022-2623
PubMed: 25699713
DOI: 10.1021/JM501790E