Cobalt in PDB 4u6e: Hsmetap in Complex with (Amino(Phenyl)Methyl)Phosphonic Acid

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

The structure of Hsmetap in Complex with (Amino(Phenyl)Methyl)Phosphonic Acid, PDB code: 4u6e 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)	20.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.433, 77.209, 48.379, 90.00, 91.12, 90.00
R / Rfree (%)	21.2 / 26.4

The binding sites of Cobalt atom in the Hsmetap in Complex with (Amino(Phenyl)Methyl)Phosphonic Acid (pdb code 4u6e). 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 (Amino(Phenyl)Methyl)Phosphonic Acid, PDB code: 4u6e:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Hsmetap 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 in Complex with (Amino(Phenyl)Methyl)Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:20.7 occ:1.00 OD2 A:ASP240 2.0 15.0 1.0 OE2 A:GLU367 2.0 14.4 1.0 NE2 A:HIS303 2.1 18.0 1.0 O2 A:Q02403 2.2 21.7 1.0 O1 A:Q02403 2.4 19.9 1.0 OE1 A:GLU336 2.4 20.1 1.0 P A:Q02403 2.8 17.7 1.0 CG A:ASP240 3.0 18.2 1.0 CD A:GLU367 3.0 17.4 1.0 CE1 A:HIS303 3.1 22.7 1.0 CO A:CO402 3.1 22.4 1.0 CD2 A:HIS303 3.2 19.1 1.0 CD A:GLU336 3.2 19.9 1.0 OE1 A:GLU367 3.4 14.7 1.0 OE2 A:GLU336 3.4 16.8 1.0 OD1 A:ASP240 3.5 16.8 1.0 O A:Q02403 3.9 17.6 1.0 N A:Q02403 3.9 12.7 1.0 OG1 A:THR334 4.0 19.6 1.0 C A:Q02403 4.1 19.8 1.0 CG2 A:THR334 4.2 18.9 1.0 CB A:ASP240 4.2 18.5 1.0 ND1 A:HIS303 4.2 22.8 1.0 CG A:HIS303 4.3 21.1 1.0 NE2 A:HIS310 4.3 18.2 1.0 CG A:GLU367 4.4 16.6 1.0 CB A:THR334 4.5 17.5 1.0 CG A:GLU336 4.5 14.7 1.0 CD2 A:HIS310 4.7 20.5 1.0 OD2 A:ASP229 4.9 19.0 1.0

Cobalt binding site 2 out of 2 in the Hsmetap 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 in Complex with (Amino(Phenyl)Methyl)Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Co402 b:22.4 occ:1.00 OD1 A:ASP240 2.0 16.8 1.0 O2 A:Q02403 2.1 21.7 1.0 OE1 A:GLU367 2.1 14.7 1.0 OD1 A:ASP229 2.1 20.9 1.0 N A:Q02403 2.3 12.7 1.0 OD2 A:ASP229 2.4 19.0 1.0 CG A:ASP229 2.6 20.1 1.0 CG A:ASP240 2.9 18.2 1.0 CD A:GLU367 3.0 17.4 1.0 C A:Q02403 3.0 19.8 1.0 P A:Q02403 3.1 17.7 1.0 OD2 A:ASP240 3.1 15.0 1.0 CO A:CO401 3.1 20.7 1.0 OE2 A:GLU367 3.2 14.4 1.0 O1 A:Q02403 3.9 19.9 1.0 OG1 A:THR231 4.0 17.8 1.0 OE2 A:GLU336 4.0 16.8 1.0 CB A:ASP229 4.1 17.6 1.0 ND2 A:ASN242 4.1 14.0 1.0 O A:Q02403 4.3 17.6 1.0 CB A:ASP240 4.3 18.5 1.0 C1 A:Q02403 4.4 18.3 1.0 O A:HOH533 4.4 16.1 1.0 O A:LEU241 4.4 14.5 1.0 CG A:GLU367 4.4 16.6 1.0 N A:LEU241 4.4 16.4 1.0 O A:ILE230 4.6 13.8 1.0 C A:LEU241 4.6 16.1 1.0 C A:ASP240 4.7 16.5 1.0 CD A:GLU336 4.7 19.9 1.0 OE1 A:GLU336 4.7 20.1 1.0 CA A:ASP240 4.8 17.8 1.0 CB A:GLU367 4.8 18.0 1.0 CA A:ASP229 4.9 17.3 1.0 CA A:LEU241 4.9 15.9 1.0 CB A:ASN242 4.9 15.7 1.0 C2 A:Q02403 5.0 18.6 1.0 CG A:ASN242 5.0 16.8 1.0 N A:ILE230 5.0 15.0 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