Cobalt in PDB 4u69: Hsmetap Complex with (1-Amino-2-Methylpentyl)Phosphonic Acid

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

The structure of Hsmetap Complex with (1-Amino-2-Methylpentyl)Phosphonic Acid, PDB code: 4u69 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)	16.82 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.466, 77.264, 48.243, 90.00, 91.23, 90.00
R / Rfree (%)	17 / 20.2

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

Potassium

(K)

1 atom

The binding sites of Cobalt atom in the Hsmetap Complex with (1-Amino-2-Methylpentyl)Phosphonic Acid (pdb code 4u69). 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 Complex with (1-Amino-2-Methylpentyl)Phosphonic Acid, PDB code: 4u69:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Hsmetap Complex with (1-Amino-2-Methylpentyl)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 Complex with (1-Amino-2-Methylpentyl)Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:14.6 occ:0.85 OE2 A:GLU367 2.0 14.7 1.0 OD2 A:ASP240 2.0 15.5 1.0 NE2 A:HIS303 2.2 14.7 1.0 O1 A:Q07404 2.2 15.2 1.0 O2 A:Q07404 2.3 19.5 1.0 OE1 A:GLU336 2.4 15.1 1.0 P A:Q07404 2.9 16.0 1.0 CG A:ASP240 3.0 14.9 1.0 CD A:GLU367 3.1 13.3 1.0 CE1 A:HIS303 3.1 18.0 1.0 CD2 A:HIS303 3.2 17.3 1.0 CO A:CO402 3.2 16.8 1.0 CD A:GLU336 3.2 16.7 1.0 OE2 A:GLU336 3.4 14.5 1.0 OE1 A:GLU367 3.4 13.4 1.0 OD1 A:ASP240 3.4 13.7 1.0 N A:Q07404 3.9 15.4 1.0 OG1 A:THR334 3.9 15.9 1.0 O A:Q07404 4.0 17.1 1.0 C5 A:Q07404 4.1 16.3 1.0 CG2 A:THR334 4.1 14.9 1.0 CB A:ASP240 4.2 15.0 1.0 ND1 A:HIS303 4.2 18.9 1.0 CG A:HIS303 4.3 17.0 1.0 CG A:GLU367 4.4 14.5 1.0 NE2 A:HIS310 4.4 18.3 1.0 CB A:THR334 4.4 14.1 1.0 CG A:GLU336 4.5 15.0 1.0 CD2 A:HIS310 4.8 19.9 1.0 O A:HOH656 4.8 38.3 1.0 OD2 A:ASP229 5.0 15.5 1.0

Cobalt binding site 2 out of 2 in the Hsmetap Complex with (1-Amino-2-Methylpentyl)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 Complex with (1-Amino-2-Methylpentyl)Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Co402 b:16.8 occ:1.00 OD1 A:ASP240 2.0 13.7 1.0 O1 A:Q07404 2.1 15.2 1.0 OE1 A:GLU367 2.1 13.4 1.0 OD1 A:ASP229 2.2 14.8 1.0 N A:Q07404 2.2 15.4 1.0 OD2 A:ASP229 2.3 15.5 1.0 CG A:ASP229 2.5 13.2 1.0 CG A:ASP240 2.9 14.9 1.0 CD A:GLU367 3.0 13.3 1.0 C5 A:Q07404 3.1 16.3 1.0 OD2 A:ASP240 3.1 15.5 1.0 P A:Q07404 3.2 16.0 1.0 CO A:CO401 3.2 14.6 0.8 OE2 A:GLU367 3.2 14.7 1.0 O2 A:Q07404 3.8 19.5 1.0 OE2 A:GLU336 4.0 14.5 1.0 CB A:ASP229 4.0 12.2 1.0 OG1 A:THR231 4.1 15.8 1.0 ND2 A:ASN242 4.2 12.1 1.0 O A:HOH701 4.3 26.0 1.0 CB A:ASP240 4.3 15.0 1.0 O A:Q07404 4.3 17.1 1.0 O A:LEU241 4.4 11.9 1.0 O A:HOH561 4.4 16.8 1.0 CG A:GLU367 4.4 14.5 1.0 N A:LEU241 4.5 12.4 1.0 C3 A:Q07404 4.5 17.9 1.0 O A:ILE230 4.6 14.4 1.0 C A:LEU241 4.6 12.5 1.0 OE1 A:GLU336 4.7 15.1 1.0 CD A:GLU336 4.8 16.7 1.0 CA A:ASP229 4.8 13.3 1.0 C A:ASP240 4.8 13.9 1.0 CB A:ASN242 4.9 12.9 1.0 CA A:ASP240 4.9 13.7 1.0 CB A:GLU367 4.9 13.0 1.0 CA A:LEU241 4.9 12.5 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