Cobalt in PDB 4u76: Hsmetap (F309M) Holo Form

All present enzymatic activity of Hsmetap (F309M) Holo Form:
3.4.11.18;

The structure of Hsmetap (F309M) Holo Form, PDB code: 4u76 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)	18.72 / 1.87
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.067, 77.469, 46.990, 90.00, 92.43, 90.00
R / Rfree (%)	17.7 / 22.3

The structure of Hsmetap (F309M) Holo Form also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Cobalt atom in the Hsmetap (F309M) Holo Form (pdb code 4u76). 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 (F309M) Holo Form, PDB code: 4u76:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Hsmetap (F309M) Holo Form


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Hsmetap (F309M) Holo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Co500 b:28.4 occ:1.00 OE1 A:GLU367 1.9 20.1 1.0 OD1 A:ASP240 2.0 24.6 1.0 O A:HOH756 2.1 30.6 1.0 O A:HOH761 2.1 31.4 1.0 OD1 A:ASP229 2.2 23.2 1.0 OD2 A:ASP229 2.4 28.6 1.0 CG A:ASP229 2.6 23.5 1.0 CG A:ASP240 2.9 24.7 1.0 CD A:GLU367 3.0 19.6 1.0 OD2 A:ASP240 3.0 19.1 1.0 CO A:CO501 3.1 25.0 0.8 OE2 A:GLU367 3.3 21.6 1.0 O A:HOH774 3.7 44.7 1.0 ND2 A:ASN242 4.0 21.6 1.0 OG1 A:THR231 4.1 28.8 1.0 O A:HOH776 4.1 47.4 1.0 CB A:ASP229 4.1 22.5 1.0 O A:HOH775 4.2 37.7 1.0 OE2 A:GLU336 4.2 29.0 1.0 CB A:ASP240 4.3 24.8 1.0 CG A:GLU367 4.4 21.0 1.0 O A:LEU241 4.4 18.8 1.0 O A:HOH762 4.4 28.4 1.0 O A:HOH778 4.5 48.1 1.0 OE1 A:GLU336 4.5 26.1 1.0 O A:HOH777 4.5 64.0 1.0 O A:HOH683 4.6 42.8 1.0 N A:LEU241 4.6 19.5 1.0 CD A:GLU336 4.7 28.1 1.0 C A:LEU241 4.7 20.2 1.0 O A:ILE230 4.8 19.1 1.0 C A:ASP240 4.8 23.1 1.0 CA A:ASP240 4.8 22.9 1.0 CB A:ASN242 4.9 20.8 1.0 CB A:GLU367 4.9 19.0 1.0 CA A:ASP229 4.9 19.3 1.0 CG A:ASN242 5.0 20.4 1.0

Cobalt binding site 2 out of 2 in the Hsmetap (F309M) Holo Form


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Hsmetap (F309M) Holo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Co501 b:25.0 occ:0.80 OE2 A:GLU367 1.9 21.6 1.0 O A:HOH761 1.9 31.4 1.0 OD2 A:ASP240 2.1 19.1 1.0 OE1 A:GLU336 2.2 26.1 1.0 NE2 A:HIS303 2.2 24.3 1.0 CD A:GLU367 2.8 19.6 1.0 CG A:ASP240 3.0 24.7 1.0 CD A:GLU336 3.0 28.1 1.0 CO A:CO500 3.1 28.4 1.0 OE1 A:GLU367 3.1 20.1 1.0 CE1 A:HIS303 3.1 27.9 1.0 CD2 A:HIS303 3.2 26.5 1.0 OE2 A:GLU336 3.3 29.0 1.0 O A:HOH774 3.3 44.7 1.0 OD1 A:ASP240 3.5 24.6 1.0 OG1 A:THR334 3.7 27.9 1.0 CG2 A:THR334 3.9 25.7 1.0 O A:HOH775 3.9 37.7 1.0 O A:HOH756 4.0 30.6 1.0 CB A:THR334 4.1 25.4 1.0 CB A:ASP240 4.2 24.8 1.0 CG A:GLU367 4.2 21.0 1.0 ND1 A:HIS303 4.3 27.9 1.0 CG A:HIS303 4.3 27.0 1.0 CG A:GLU336 4.4 25.5 1.0 NE2 A:HIS310 4.7 36.5 1.0 O A:HOH683 4.8 42.8 1.0 OD2 A:ASP229 4.9 28.6 1.0 CB A:GLU336 4.9 23.0 1.0 CD2 A:HIS310 4.9 37.7 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