Cobalt in PDB 4u73: Hsmetap(F309M) in Complex with (Amino(Phenyl)Methyl)Phosphonic Acid

All present enzymatic activity of Hsmetap(F309M) in Complex with (Amino(Phenyl)Methyl)Phosphonic Acid:
3.4.11.18;

The structure of Hsmetap(F309M) in Complex with (Amino(Phenyl)Methyl)Phosphonic Acid, PDB code: 4u73 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)	15.75 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.477, 77.296, 48.271, 90.00, 91.19, 90.00
R / Rfree (%)	17.1 / 20.1

The structure of Hsmetap(F309M) in Complex with (Amino(Phenyl)Methyl)Phosphonic Acid also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Cobalt atom in the Hsmetap(F309M) in Complex with (Amino(Phenyl)Methyl)Phosphonic Acid (pdb code 4u73). 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) in Complex with (Amino(Phenyl)Methyl)Phosphonic Acid, PDB code: 4u73:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Hsmetap(F309M) in Complex with (Amino(Phenyl)Methyl)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(F309M) in Complex with (Amino(Phenyl)Methyl)Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:17.9 occ:1.00 OE2 A:GLU367 2.0 15.3 1.0 OD2 A:ASP240 2.0 17.3 1.0 NE2 A:HIS303 2.2 15.6 1.0 O1 A:Q02404 2.3 20.0 1.0 OE1 A:GLU336 2.4 15.6 1.0 O A:Q02404 2.5 20.0 1.0 P A:Q02404 2.9 20.0 1.0 CG A:ASP240 3.0 13.6 1.0 CD A:GLU367 3.0 16.0 1.0 CE1 A:HIS303 3.1 19.5 1.0 CD2 A:HIS303 3.2 18.2 1.0 CD A:GLU336 3.2 17.2 1.0 CO A:CO402 3.2 18.7 1.0 OE2 A:GLU336 3.3 15.6 1.0 OE1 A:GLU367 3.3 15.0 1.0 OD1 A:ASP240 3.4 13.6 1.0 OG1 A:THR334 3.9 15.8 1.0 C A:Q02404 4.0 20.0 1.0 O2 A:Q02404 4.1 20.0 1.0 N A:Q02404 4.1 20.0 1.0 CG2 A:THR334 4.2 15.4 1.0 ND1 A:HIS303 4.2 17.0 1.0 CB A:ASP240 4.2 14.6 1.0 CG A:HIS303 4.3 16.6 1.0 CG A:GLU367 4.3 14.5 1.0 NE2 A:HIS310 4.4 20.4 1.0 CB A:THR334 4.4 14.1 1.0 CG A:GLU336 4.5 15.0 1.0 CD2 A:HIS310 4.9 23.0 1.0 OD2 A:ASP229 4.9 14.6 1.0 O A:HOH720 4.9 30.8 1.0

Cobalt binding site 2 out of 2 in the Hsmetap(F309M) in Complex with (Amino(Phenyl)Methyl)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(F309M) in Complex with (Amino(Phenyl)Methyl)Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Co402 b:18.7 occ:1.00 OD1 A:ASP240 2.0 13.6 1.0 OE1 A:GLU367 2.1 15.0 1.0 OD2 A:ASP229 2.2 14.6 1.0 OD1 A:ASP229 2.2 15.2 1.0 N A:Q02404 2.3 20.0 1.0 O1 A:Q02404 2.3 20.0 1.0 CG A:ASP229 2.6 11.8 1.0 CG A:ASP240 2.9 13.6 1.0 CD A:GLU367 3.0 16.0 1.0 C A:Q02404 3.0 20.0 1.0 OD2 A:ASP240 3.2 17.3 1.0 P A:Q02404 3.2 20.0 1.0 CO A:CO401 3.2 17.9 1.0 OE2 A:GLU367 3.3 15.3 1.0 OG1 A:THR231 3.9 16.4 1.0 OE2 A:GLU336 3.9 15.6 1.0 O A:Q02404 4.0 20.0 1.0 CB A:ASP229 4.1 12.2 1.0 ND2 A:ASN242 4.2 13.6 1.0 CB A:ASP240 4.3 14.6 1.0 O A:LEU241 4.3 14.7 1.0 O2 A:Q02404 4.3 20.0 1.0 CG A:GLU367 4.4 14.5 1.0 N A:LEU241 4.4 13.6 1.0 O A:HOH732 4.5 13.7 1.0 C1 A:Q02404 4.5 20.0 1.0 C A:LEU241 4.6 14.2 1.0 O A:ILE230 4.6 12.4 1.0 CD A:GLU336 4.7 17.2 1.0 OE1 A:GLU336 4.7 15.6 1.0 C A:ASP240 4.7 14.9 1.0 CA A:ASP240 4.8 13.2 1.0 CB A:GLU367 4.8 12.6 1.0 CA A:LEU241 4.9 14.3 1.0 CA A:ASP229 4.9 12.4 1.0 CB A:ASN242 4.9 14.4 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