Cobalt in PDB 4u70: Hsmetap (F309M) in Complex with (1-Amino-2-Cyclohexylethyl)Phosphonic Acid

All present enzymatic activity of Hsmetap (F309M) in Complex with (1-Amino-2-Cyclohexylethyl)Phosphonic Acid:
3.4.11.18;

The structure of Hsmetap (F309M) in Complex with (1-Amino-2-Cyclohexylethyl)Phosphonic Acid, PDB code: 4u70 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)	17.09 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.636, 77.389, 48.575, 90.00, 90.60, 90.00
R / Rfree (%)	16.4 / 20.7

The structure of Hsmetap (F309M) in Complex with (1-Amino-2-Cyclohexylethyl)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 (1-Amino-2-Cyclohexylethyl)Phosphonic Acid (pdb code 4u70). 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 (1-Amino-2-Cyclohexylethyl)Phosphonic Acid, PDB code: 4u70:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Hsmetap (F309M) in Complex with (1-Amino-2-Cyclohexylethyl)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 (1-Amino-2-Cyclohexylethyl)Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Co400 b:15.4 occ:0.90 O2 A:Q04403 2.0 17.8 1.0 OD1 A:ASP240 2.1 14.7 1.0 OE1 A:GLU367 2.1 13.3 1.0 OD1 A:ASP229 2.2 15.4 1.0 OD2 A:ASP229 2.2 17.4 1.0 N A:Q04403 2.3 17.4 1.0 CG A:ASP229 2.4 13.6 1.0 CG A:ASP240 3.0 15.4 1.0 C A:Q04403 3.0 21.0 1.0 CD A:GLU367 3.1 14.5 1.0 P A:Q04403 3.1 19.1 1.0 OD2 A:ASP240 3.2 15.4 1.0 CO A:CO401 3.2 13.5 0.8 OE2 A:GLU367 3.3 14.2 1.0 O1 A:Q04403 3.9 20.0 1.0 OG1 A:THR231 3.9 19.7 1.0 OE2 A:GLU336 3.9 14.8 1.0 CB A:ASP229 4.0 12.4 1.0 ND2 A:ASN242 4.1 11.7 1.0 O A:Q04403 4.3 20.7 1.0 O A:HOH872 4.3 14.4 1.0 O A:LEU241 4.4 12.3 1.0 CB A:ASP240 4.4 14.7 1.0 C1 A:Q04403 4.4 25.4 1.0 O A:HOH688 4.4 21.9 1.0 CG A:GLU367 4.4 13.8 1.0 N A:LEU241 4.5 12.4 1.0 O A:ILE230 4.7 13.0 1.0 C A:LEU241 4.7 12.1 1.0 OE1 A:GLU336 4.7 15.2 1.0 CD A:GLU336 4.8 18.2 1.0 CA A:ASP229 4.8 12.4 1.0 C A:ASP240 4.8 14.3 1.0 CA A:ASP240 4.8 14.8 1.0 CB A:GLU367 4.9 11.8 1.0 CB A:ASN242 4.9 12.6 1.0 CA A:LEU241 4.9 13.4 1.0

Cobalt binding site 2 out of 2 in the Hsmetap (F309M) in Complex with (1-Amino-2-Cyclohexylethyl)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 (1-Amino-2-Cyclohexylethyl)Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:13.5 occ:0.80 OD2 A:ASP240 2.0 15.4 1.0 OE2 A:GLU367 2.0 14.2 1.0 NE2 A:HIS303 2.1 12.9 1.0 O1 A:Q04403 2.2 20.0 1.0 O2 A:Q04403 2.3 17.8 1.0 OE1 A:GLU336 2.4 15.2 1.0 P A:Q04403 2.8 19.1 1.0 CG A:ASP240 3.0 15.4 1.0 CE1 A:HIS303 3.1 16.9 1.0 CD A:GLU367 3.1 14.5 1.0 CD2 A:HIS303 3.1 16.9 1.0 CO A:CO400 3.2 15.4 0.9 CD A:GLU336 3.2 18.2 1.0 OE2 A:GLU336 3.4 14.8 1.0 OE1 A:GLU367 3.4 13.3 1.0 OD1 A:ASP240 3.4 14.7 1.0 O A:Q04403 3.9 20.7 1.0 N A:Q04403 3.9 17.4 1.0 OG1 A:THR334 4.0 15.4 1.0 C A:Q04403 4.0 21.0 1.0 CG2 A:THR334 4.2 15.2 1.0 ND1 A:HIS303 4.2 16.7 1.0 CG A:HIS303 4.2 15.0 1.0 NE2 A:HIS310 4.2 20.9 1.0 CB A:ASP240 4.3 14.7 1.0 CG A:GLU367 4.4 13.8 1.0 CB A:THR334 4.5 14.5 1.0 CG A:GLU336 4.5 14.6 1.0 CD2 A:HIS310 4.7 23.8 1.0 C1 A:Q04403 4.8 25.4 1.0 OD2 A:ASP229 4.9 17.4 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