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Manganese in PDB 4a6w: X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes

Enzymatic activity of X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes

All present enzymatic activity of X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes:
3.4.11.18;

Protein crystallography data

The structure of X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes, PDB code: 4a6w was solved by F.Huguet, A.Melet, R.Alvesdesousa, A.Lieutaud, J.Chevalier, P.Deschamps, A.Tomas, N.Leulliot, J.M.Pages, I.Artaud, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.25 / 1.46
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 39.350, 62.910, 52.600, 90.00, 109.40, 90.00
R / Rfree (%) 15.296 / 22.623

Other elements in 4a6w:

The structure of X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Manganese Binding Sites:

The binding sites of Manganese atom in the X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes (pdb code 4a6w). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes, PDB code: 4a6w:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 4a6w

Go back to Manganese Binding Sites List in 4a6w
Manganese binding site 1 out of 2 in the X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1264

b:12.9
occ:1.00
OE2 A:GLU204 2.2 11.2 1.0
OD2 A:ASP108 2.2 8.0 1.0
OE2 A:GLU235 2.2 11.9 1.0
NE2 A:HIS171 2.3 11.0 1.0
OAB A:5C11265 2.3 23.2 1.0
OAO A:5C11265 2.3 23.4 1.0
CD A:GLU204 3.0 13.9 1.0
CAE A:5C11265 3.1 21.6 1.0
NAL A:5C11265 3.1 24.5 1.0
OE1 A:GLU204 3.2 21.6 1.0
CD2 A:HIS171 3.2 10.2 1.0
CG A:ASP108 3.2 9.7 1.0
CE1 A:HIS171 3.3 13.2 1.0
CD A:GLU235 3.3 13.8 1.0
MN A:MN1266 3.5 12.2 1.0
OE1 A:GLU235 3.7 13.8 1.0
OD1 A:ASP108 3.7 12.1 1.0
OG1 A:THR202 3.9 9.7 1.0
CG2 A:THR202 4.2 7.1 1.0
ND1 A:HIS171 4.4 11.8 1.0
CB A:ASP108 4.4 10.1 1.0
CG A:HIS171 4.4 10.0 1.0
CB A:THR202 4.4 7.7 1.0
CG A:GLU204 4.4 13.0 1.0
O A:HOH2470 4.5 23.5 1.0
CAA A:5C11265 4.5 21.9 1.0
CG A:GLU235 4.6 9.3 1.0
CE1 A:PHE177 4.6 15.4 1.0
O A:HOH2303 4.6 54.7 1.0
NE2 A:HIS178 4.9 16.4 1.0

Manganese binding site 2 out of 2 in 4a6w

Go back to Manganese Binding Sites List in 4a6w
Manganese binding site 2 out of 2 in the X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of X-Ray Structures of Oxazole Hydroxamate Ecmetap-Mn Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1266

b:12.2
occ:1.00
OAB A:5C11265 1.9 23.2 1.0
OD1 A:ASP97 2.0 12.5 1.0
O A:HOH2303 2.0 54.7 1.0
OE1 A:GLU235 2.1 13.8 1.0
OD1 A:ASP108 2.2 12.1 1.0
OD2 A:ASP97 2.7 16.5 1.0
NAL A:5C11265 2.7 24.5 1.0
CG A:ASP97 2.7 9.1 1.0
CD A:GLU235 3.1 13.8 1.0
CG A:ASP108 3.1 9.7 1.0
OE2 A:GLU235 3.3 11.9 1.0
OD2 A:ASP108 3.3 8.0 1.0
MN A:MN1264 3.5 12.9 1.0
O A:HOH2306 3.7 10.2 1.0
OG1 A:THR99 3.8 13.5 1.0
CAE A:5C11265 3.9 21.6 1.0
CB A:ASP97 4.2 8.9 1.0
N A:THR109 4.2 6.6 1.0
O A:THR109 4.3 8.9 1.0
OAO A:5C11265 4.3 23.4 1.0
O A:VAL98 4.4 9.7 1.0
CB A:ASP108 4.4 10.1 1.0
O A:HOH2194 4.4 25.1 1.0
CG A:GLU235 4.5 9.3 1.0
O A:HOH2217 4.5 29.3 1.0
OE1 A:GLU204 4.5 21.6 1.0
C A:THR109 4.6 7.7 1.0
C A:ASP108 4.6 9.1 1.0
O A:HOH2470 4.6 23.5 1.0
N A:VAL98 4.7 8.4 1.0
CA A:ASP108 4.7 8.9 1.0
O A:HOH2305 4.7 16.0 1.0
CA A:THR109 4.8 7.7 1.0
CA A:ASP97 4.8 7.6 1.0
C A:VAL98 4.9 8.1 1.0
C A:ASP97 4.9 7.5 1.0
CB A:GLU235 4.9 7.3 1.0
CB A:SER110 5.0 6.9 1.0
OE2 A:GLU204 5.0 11.2 1.0

Reference:

F.Huguet, A.Melet, R.Alves De Sousa, A.Lieutaud, J.Chevalier, L.Maigre, P.Deschamps, A.Tomas, N.Leulliot, J.M.Pages, I.Artaud. Hydroxamic Acids As Potent Inhibitors of Fe(II) and Mn(II) E. Coli Methionine Aminopeptidase: Biological Activities and X-Ray Structures of Oxazole Hydroxamate-Ecmetap-Mn Complexes. Chemmedchem V. 7 1020 2012.
ISSN: ISSN 1860-7179
PubMed: 22489069
DOI: 10.1002/CMDC.201200076
Page generated: Tue Dec 15 04:18:08 2020

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