Cobalt in PDB 4u6c: Hsmetap in Complex with [(1R)-1-Amino-3-Cyclopentylpropyl]Phosphonic Acid

All present enzymatic activity of Hsmetap in Complex with [(1R)-1-Amino-3-Cyclopentylpropyl]Phosphonic Acid:
3.4.11.18;

The structure of Hsmetap in Complex with [(1R)-1-Amino-3-Cyclopentylpropyl]Phosphonic Acid, PDB code: 4u6c 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)	21.00 / 1.91
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.076, 77.299, 47.420, 90.00, 91.38, 90.00
R / Rfree (%)	18.3 / 22.9

The structure of Hsmetap in Complex with [(1R)-1-Amino-3-Cyclopentylpropyl]Phosphonic Acid also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Cobalt atom in the Hsmetap in Complex with [(1R)-1-Amino-3-Cyclopentylpropyl]Phosphonic Acid (pdb code 4u6c). 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 [(1R)-1-Amino-3-Cyclopentylpropyl]Phosphonic Acid, PDB code: 4u6c:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Hsmetap in Complex with [(1R)-1-Amino-3-Cyclopentylpropyl]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 [(1R)-1-Amino-3-Cyclopentylpropyl]Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Co400 b:30.4 occ:1.00 OE2 A:GLU367 2.0 23.7 1.0 O A:Q06404 2.1 25.6 1.0 OD2 A:ASP240 2.1 27.0 1.0 NE2 A:HIS303 2.3 30.0 1.0 O2 A:Q06404 2.3 24.5 1.0 OE1 A:GLU336 2.4 33.7 1.0 P A:Q06404 2.7 24.5 1.0 CD A:GLU367 3.0 29.0 1.0 CG A:ASP240 3.0 27.4 1.0 CO A:CO401 3.1 29.4 1.0 CD2 A:HIS303 3.2 34.7 1.0 CD A:GLU336 3.2 31.2 1.0 OD1 A:ASP240 3.3 26.7 1.0 OE1 A:GLU367 3.3 25.1 1.0 CE1 A:HIS303 3.3 34.6 1.0 OE2 A:GLU336 3.4 28.0 1.0 O1 A:Q06404 3.8 25.6 1.0 C A:Q06404 4.0 29.6 1.0 N A:Q06404 4.1 23.9 1.0 OG1 A:THR334 4.1 25.8 1.0 CB A:ASP240 4.2 27.9 1.0 NE2 A:HIS310 4.3 32.1 1.0 CG A:HIS303 4.4 31.3 1.0 CG2 A:THR334 4.4 27.0 1.0 CG A:GLU367 4.4 23.2 1.0 ND1 A:HIS303 4.4 30.9 1.0 CG A:GLU336 4.6 30.3 1.0 C1 A:Q06404 4.6 32.9 1.0 CB A:THR334 4.6 27.2 1.0 CD2 A:HIS310 4.7 29.7 1.0 OD2 A:ASP229 4.9 33.1 1.0

Cobalt binding site 2 out of 2 in the Hsmetap in Complex with [(1R)-1-Amino-3-Cyclopentylpropyl]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 [(1R)-1-Amino-3-Cyclopentylpropyl]Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Co401 b:29.4 occ:1.00 OD1 A:ASP240 1.8 26.7 1.0 OE1 A:GLU367 2.2 25.1 1.0 O A:Q06404 2.3 25.6 1.0 N A:Q06404 2.3 23.9 1.0 OD2 A:ASP229 2.3 33.1 1.0 OD1 A:ASP229 2.3 26.9 1.0 CG A:ASP229 2.6 26.4 1.0 CG A:ASP240 2.8 27.4 1.0 C A:Q06404 2.9 29.6 1.0 P A:Q06404 3.0 24.5 1.0 OD2 A:ASP240 3.1 27.0 1.0 CD A:GLU367 3.1 29.0 1.0 CO A:CO400 3.1 30.4 1.0 OE2 A:GLU367 3.4 23.7 1.0 O2 A:Q06404 3.8 24.5 1.0 OG1 A:THR231 4.0 23.5 1.0 OE2 A:GLU336 4.0 28.0 1.0 CB A:ASP229 4.2 24.3 1.0 ND2 A:ASN242 4.2 24.5 1.0 O A:HOH636 4.2 34.5 1.0 C1 A:Q06404 4.2 32.9 1.0 CB A:ASP240 4.3 27.9 1.0 O1 A:Q06404 4.3 25.6 1.0 O A:LEU241 4.4 26.2 1.0 N A:LEU241 4.5 26.8 1.0 CG A:GLU367 4.5 23.2 1.0 O A:HOH635 4.5 33.5 1.0 O A:ILE230 4.6 23.9 1.0 C A:LEU241 4.7 25.1 1.0 OE1 A:GLU336 4.7 33.7 1.0 CD A:GLU336 4.7 31.2 1.0 C A:ASP240 4.8 26.1 1.0 CA A:ASP240 4.8 26.5 1.0 C2 A:Q06404 4.9 38.4 1.0 CB A:GLU367 4.9 22.2 1.0 CA A:LEU241 4.9 23.8 1.0 CA A:ASP229 5.0 23.6 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