Cobalt in PDB 4u6w: Hsmetap (F220M) in Complex with 1-Amino-2-Propylpentyl]Phosphonic Acid

All present enzymatic activity of Hsmetap (F220M) in Complex with 1-Amino-2-Propylpentyl]Phosphonic Acid:
3.4.11.18;

The structure of Hsmetap (F220M) in Complex with 1-Amino-2-Propylpentyl]Phosphonic Acid, PDB code: 4u6w 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)	17.86 / 1.83
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.149, 77.099, 47.487, 90.00, 91.29, 90.00
R / Rfree (%)	17.6 / 22.4

The structure of Hsmetap (F220M) in Complex with 1-Amino-2-Propylpentyl]Phosphonic Acid also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Cobalt atom in the Hsmetap (F220M) in Complex with 1-Amino-2-Propylpentyl]Phosphonic Acid (pdb code 4u6w). 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 (F220M) in Complex with 1-Amino-2-Propylpentyl]Phosphonic Acid, PDB code: 4u6w:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Hsmetap (F220M) in Complex with 1-Amino-2-Propylpentyl]Phosphonic Acid


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Hsmetap (F220M) in Complex with 1-Amino-2-Propylpentyl]Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Co400 b:24.3 occ:1.00 OE2 A:GLU367 2.0 20.2 1.0 OD2 A:ASP240 2.1 18.5 1.0 NE2 A:HIS303 2.1 19.2 1.0 O1 A:Q08404 2.2 25.9 1.0 OE1 A:GLU336 2.3 22.3 1.0 O2 A:Q08404 2.4 33.3 1.0 P A:Q08404 2.9 25.8 1.0 CD A:GLU367 3.0 17.4 1.0 CG A:ASP240 3.0 18.8 1.0 CE1 A:HIS303 3.1 23.0 1.0 CD A:GLU336 3.1 22.4 1.0 CD2 A:HIS303 3.2 23.4 1.0 OE2 A:GLU336 3.2 23.1 1.0 CO A:CO401 3.3 21.7 1.0 OE1 A:GLU367 3.4 17.9 1.0 OD1 A:ASP240 3.5 16.1 1.0 OG1 A:THR334 3.8 20.4 1.0 CG2 A:THR334 4.1 17.6 1.0 O A:Q08404 4.1 29.6 1.0 N A:Q08404 4.2 26.0 1.0 CB A:ASP240 4.2 19.6 1.0 C7 A:Q08404 4.2 33.8 1.0 ND1 A:HIS303 4.2 19.2 1.0 CG A:GLU367 4.3 16.9 1.0 CG A:HIS303 4.3 20.9 1.0 CB A:THR334 4.4 19.5 1.0 CG A:GLU336 4.4 19.9 1.0 NE2 A:HIS310 4.5 41.1 1.0 CE A:MET309 4.8 36.1 0.7 CD2 A:HIS310 4.9 38.4 1.0

Cobalt binding site 2 out of 2 in the Hsmetap (F220M) in Complex with 1-Amino-2-Propylpentyl]Phosphonic Acid


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Hsmetap (F220M) in Complex with 1-Amino-2-Propylpentyl]Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:21.7 occ:1.00 OD1 A:ASP240 1.9 16.1 1.0 OE1 A:GLU367 2.0 17.9 1.0 O1 A:Q08404 2.1 25.9 1.0 OD1 A:ASP229 2.2 17.4 1.0 N A:Q08404 2.2 26.0 1.0 OD2 A:ASP229 2.3 23.8 1.0 CG A:ASP229 2.6 18.5 1.0 CG A:ASP240 2.9 18.8 1.0 CD A:GLU367 3.0 17.4 1.0 C7 A:Q08404 3.1 33.8 1.0 OD2 A:ASP240 3.2 18.5 1.0 P A:Q08404 3.2 25.8 1.0 CO A:CO400 3.3 24.3 1.0 OE2 A:GLU367 3.4 20.2 1.0 OG1 A:THR231 3.9 23.9 1.0 OE2 A:GLU336 3.9 23.1 1.0 O2 A:Q08404 3.9 33.3 1.0 ND2 A:ASN242 4.1 18.5 1.0 CB A:ASP229 4.1 18.2 1.0 CB A:ASP240 4.3 19.6 1.0 CG A:GLU367 4.3 16.9 1.0 O A:Q08404 4.4 29.6 1.0 O A:LEU241 4.4 15.3 1.0 O A:HOH535 4.4 20.5 1.0 N A:LEU241 4.5 16.8 1.0 C3 A:Q08404 4.5 40.8 1.0 O A:HOH625 4.5 26.4 1.0 C A:LEU241 4.7 18.6 1.0 O A:ILE230 4.7 16.1 1.0 OE1 A:GLU336 4.7 22.3 1.0 C A:ASP240 4.7 18.3 1.0 CD A:GLU336 4.7 22.4 1.0 CA A:ASP240 4.7 17.6 1.0 C4 A:Q08404 4.8 49.0 1.0 CB A:GLU367 4.8 16.1 1.0 CA A:ASP229 4.9 15.1 1.0 CA A:LEU241 4.9 19.9 1.0 CB A:ASN242 5.0 17.2 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