Cobalt in PDB 2adu: Human Methionine Aminopeptidase Complex with 4-Aryl-1,2,3-Triazole Inhibitor

All present enzymatic activity of Human Methionine Aminopeptidase Complex with 4-Aryl-1,2,3-Triazole Inhibitor:
3.4.11.18;

The structure of Human Methionine Aminopeptidase Complex with 4-Aryl-1,2,3-Triazole Inhibitor, PDB code: 2adu was solved by L.S.Kallander, Q.Lu, W.Chen, T.Tomaszek, G.Yang, D.Tew, T.D.Meek, G.A.Hofmann, C.K.Schulz-Pritchard, W.W.Smith, C.A.Janson, M.D.Ryan, G.F.Zhang, K.O.Johanson, R.B.Kirkpatrick, T.F.Ho, P.W.Fisher, M.R.Mattern, R.K.Johnson, M.J.Hansbury, J.D.Winkler, K.W.Ward, D.F.Veber, S.K.Thompson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	99.00 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	89.819, 99.264, 101.282, 90.00, 90.00, 90.00
R / Rfree (%)	33.5 / 35.5

The binding sites of Cobalt atom in the Human Methionine Aminopeptidase Complex with 4-Aryl-1,2,3-Triazole Inhibitor (pdb code 2adu). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Human Methionine Aminopeptidase Complex with 4-Aryl-1,2,3-Triazole Inhibitor, PDB code: 2adu:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Human Methionine Aminopeptidase Complex with 4-Aryl-1,2,3-Triazole Inhibitor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Human Methionine Aminopeptidase Complex with 4-Aryl-1,2,3-Triazole Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Co501 b:23.3 occ:1.00 OE1 A:GLU459 1.8 37.3 1.0 OD1 A:ASP262 1.9 38.1 1.0 N9 A:R20906 2.0 37.4 1.0 OD1 A:ASP251 2.1 33.9 1.0 OD2 A:ASP251 2.4 33.9 1.0 CG A:ASP251 2.6 33.9 1.0 CG A:ASP262 2.8 37.0 1.0 N10 A:R20906 2.8 37.3 1.0 CD A:GLU459 2.8 36.5 1.0 OD2 A:ASP262 2.9 38.6 1.0 C5 A:R20906 3.1 37.2 1.0 OE2 A:GLU459 3.2 36.5 1.0 CO A:CO502 3.3 24.4 1.0 CZ A:PHE219 3.8 35.2 1.0 N6 A:R20906 4.0 37.2 1.0 CB A:ASP251 4.1 34.8 1.0 CG A:GLU459 4.2 36.6 1.0 OE1 A:GLU364 4.2 38.6 1.0 C2 A:R20906 4.2 37.9 1.0 CB A:ASP262 4.2 37.7 1.0 OE2 A:GLU364 4.3 39.3 1.0 NE2 A:GLN457 4.3 35.5 1.0 CE1 A:PHE219 4.3 34.9 1.0 O A:HOH653 4.4 45.9 1.0 CD A:GLU364 4.5 38.4 1.0 CB A:ALA264 4.6 35.0 1.0 CE2 A:PHE219 4.6 35.7 1.0 N A:CYS263 4.6 37.4 1.0 CB A:GLU459 4.7 36.7 1.0 C A:ASP262 4.7 37.0 1.0 CA A:ASP262 4.7 38.0 1.0 CA A:ASP251 4.8 34.4 1.0

Cobalt binding site 2 out of 2 in the Human Methionine Aminopeptidase Complex with 4-Aryl-1,2,3-Triazole Inhibitor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Human Methionine Aminopeptidase Complex with 4-Aryl-1,2,3-Triazole Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Co502 b:24.4 occ:1.00 OE2 A:GLU459 1.8 36.5 1.0 OE2 A:GLU364 1.9 39.3 1.0 OD2 A:ASP262 2.0 38.6 1.0 NE2 A:HIS331 2.0 41.4 1.0 N10 A:R20906 2.1 37.3 1.0 CD A:GLU459 2.9 36.5 1.0 CE1 A:HIS331 2.9 41.1 1.0 CD A:GLU364 3.0 38.4 1.0 N9 A:R20906 3.0 37.4 1.0 CD2 A:HIS331 3.0 40.8 1.0 CG A:ASP262 3.1 37.0 1.0 N6 A:R20906 3.1 37.2 1.0 CO A:CO501 3.3 23.3 1.0 OE1 A:GLU459 3.3 37.3 1.0 OE1 A:GLU364 3.6 38.6 1.0 OD1 A:ASP262 3.6 38.1 1.0 CB A:ALA362 3.9 39.4 1.0 ND1 A:HIS331 4.0 40.6 1.0 CG A:GLU364 4.0 39.2 1.0 CG A:HIS331 4.1 41.5 1.0 C5 A:R20906 4.2 37.2 1.0 CG A:GLU459 4.2 36.6 1.0 C2 A:R20906 4.3 37.9 1.0 CB A:ASP262 4.3 37.7 1.0 O A:HOH653 4.3 45.9 1.0 NE2 A:HIS339 4.5 44.7 1.0 O A:HOH671 4.7 42.7 1.0 CB A:GLU364 4.8 38.8 1.0 OD2 A:ASP251 5.0 33.9 1.0

L.S.Kallander, Q.Lu, W.Chen, T.Tomaszek, G.Yang, D.Tew, T.D.Meek, G.A.Hofmann, C.K.Schulz-Pritchard, W.W.Smith, C.A.Janson, M.D.Ryan, G.F.Zhang, K.O.Johanson, R.B.Kirkpatrick, T.F.Ho, P.W.Fisher, M.R.Mattern, R.K.Johnson, M.J.Hansbury, J.D.Winkler, K.W.Ward, D.F.Veber, S.K.Thompson. 4-Aryl-1,2,3-Triazole: A Novel Template For A Reversible Methionine Aminopeptidase 2 Inhibitor, Optimized to Inhibit Angiogenesis in Vivo J.Med.Chem. V. 48 5644 2005.
ISSN: ISSN 0022-2623
PubMed: 16134930
DOI: 10.1021/JM050408C