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Manganese in PDB 2bb7: Mn Form of E. Coli Methionine Aminopeptidase in Complex with A Quinolinyl Sulfonamide Inhibitor

Enzymatic activity of Mn Form of E. Coli Methionine Aminopeptidase in Complex with A Quinolinyl Sulfonamide Inhibitor

All present enzymatic activity of Mn Form of E. Coli Methionine Aminopeptidase in Complex with A Quinolinyl Sulfonamide Inhibitor:
3.4.11.18;

Protein crystallography data

The structure of Mn Form of E. Coli Methionine Aminopeptidase in Complex with A Quinolinyl Sulfonamide Inhibitor, PDB code: 2bb7 was solved by Q.Z.Ye, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 17.62 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 38.039, 60.416, 50.521, 90.00, 104.40, 90.00
R / Rfree (%) 18.7 / 23.3

Other elements in 2bb7:

The structure of Mn Form of E. Coli Methionine Aminopeptidase in Complex with A Quinolinyl Sulfonamide Inhibitor also contains other interesting chemical elements:

Sodium (Na) 1 atom

Manganese Binding Sites:

The binding sites of Manganese atom in the Mn Form of E. Coli Methionine Aminopeptidase in Complex with A Quinolinyl Sulfonamide Inhibitor (pdb code 2bb7). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Mn Form of E. Coli Methionine Aminopeptidase in Complex with A Quinolinyl Sulfonamide Inhibitor, PDB code: 2bb7:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in 2bb7

Go back to Manganese Binding Sites List in 2bb7
Manganese binding site 1 out of 3 in the Mn Form of E. Coli Methionine Aminopeptidase in Complex with A Quinolinyl Sulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Mn Form of E. Coli Methionine Aminopeptidase in Complex with A Quinolinyl Sulfonamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn301

b:14.4
occ:1.00
 O A:HOH319 2.0 13.3 1.0
OD1 A:ASP108 2.1 12.9 1.0
OE1 A:GLU235 2.2 13.7 1.0
OD1 A:ASP97 2.2 13.0 1.0
O A:HOH313 2.4 12.9 1.0
OD2 A:ASP97 2.5 12.1 1.0
CG A:ASP97 2.7 14.0 1.0
CG A:ASP108 3.0 11.1 1.0
CD A:GLU235 3.1 11.0 1.0
MN A:MN302 3.3 15.9 1.0
OD2 A:ASP108 3.3 13.1 1.0
OE2 A:GLU235 3.4 13.3 1.0
O A:HOH309 3.7 19.0 1.0
O A:HOH307 3.8 15.1 1.0
OG1 A:THR99 3.9 16.1 1.0
CB A:ASP97 4.2 12.9 1.0
O A:HOH341 4.3 17.8 1.0
O A:VAL98 4.4 12.8 1.0
O A:HOH337 4.4 16.6 1.0
CG A:GLU235 4.5 11.9 1.0
CB A:ASP108 4.5 14.4 1.0
OE1 A:GLU204 4.5 17.2 1.0
N A:THR109 4.5 13.3 1.0
O A:THR109 4.7 12.1 1.0
OE2 A:GLU204 4.7 14.4 1.0
C A:ASP108 4.7 13.6 1.0
O A:HOH327 4.8 15.4 1.0
C A:THR109 4.8 11.9 1.0
CD A:GLU204 4.9 14.0 1.0
CA A:ASP108 4.9 13.8 1.0
CB A:GLU235 4.9 12.4 1.0
N A:VAL98 4.9 13.7 1.0
O A:HOH360 4.9 18.5 1.0
CA A:ASP97 4.9 12.7 1.0

Manganese binding site 2 out of 3 in 2bb7

Go back to Manganese Binding Sites List in 2bb7
Manganese binding site 2 out of 3 in the Mn Form of E. Coli Methionine Aminopeptidase in Complex with A Quinolinyl Sulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Mn Form of E. Coli Methionine Aminopeptidase in Complex with A Quinolinyl Sulfonamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn302

b:15.9
occ:1.00
 O A:HOH319 2.0 13.3 1.0
OE2 A:GLU235 2.2 13.3 1.0
OD2 A:ASP108 2.2 13.1 1.0
OE2 A:GLU204 2.2 14.4 1.0
NE2 A:HIS171 2.3 15.2 1.0
CD A:GLU235 3.0 11.0 1.0
CG A:ASP108 3.1 11.1 1.0
CD A:GLU204 3.1 14.0 1.0
CD2 A:HIS171 3.2 15.5 1.0
OE1 A:GLU235 3.2 13.7 1.0
MN A:MN301 3.3 14.4 1.0
CE1 A:HIS171 3.3 17.7 1.0
O A:HOH521 3.3 27.8 1.0
OE1 A:GLU204 3.3 17.2 1.0
OD1 A:ASP108 3.4 12.9 1.0
OG1 A:THR202 3.6 15.3 1.0
O A:HOH309 3.8 19.0 1.0
CG2 A:THR202 3.9 18.1 1.0
CB A:THR202 4.1 16.1 1.0
CB A:ASP108 4.3 14.4 1.0
ND1 A:HIS171 4.3 14.8 1.0
CG A:HIS171 4.4 15.3 1.0
CG A:GLU235 4.4 11.9 1.0
CG A:GLU204 4.4 13.8 1.0
O A:HOH313 4.5 12.9 1.0
NE2 A:HIS178 4.7 18.0 1.0
CD2 A:HIS178 4.8 20.3 1.0
CE1 A:PHE177 4.9 15.1 1.0
CB A:GLU204 4.9 13.3 1.0

Manganese binding site 3 out of 3 in 2bb7

Go back to Manganese Binding Sites List in 2bb7
Manganese binding site 3 out of 3 in the Mn Form of E. Coli Methionine Aminopeptidase in Complex with A Quinolinyl Sulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Mn Form of E. Coli Methionine Aminopeptidase in Complex with A Quinolinyl Sulfonamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn303

b:20.0
occ:1.00
 O A:HOH360 2.2 18.5 1.0
N1 A:QMS305 2.2 21.4 1.0
NE2 A:HIS79 2.3 19.3 1.0
O A:HOH341 2.3 17.8 1.0
N2 A:QMS305 2.3 18.6 1.0
O A:HOH309 2.4 19.0 1.0
C3 A:QMS305 3.0 21.4 1.0
C4 A:QMS305 3.0 21.5 1.0
O2 A:QMS305 3.2 20.6 1.0
CD2 A:HIS79 3.2 18.1 1.0
CE1 A:HIS79 3.3 17.5 1.0
S1 A:QMS305 3.3 19.9 1.0
C8 A:QMS305 3.3 23.2 1.0
O1 A:QMS305 4.0 24.4 1.0
O A:HOH365 4.0 30.7 1.0
NE2 A:HIS178 4.1 18.0 1.0
O A:HOH521 4.3 27.8 1.0
O A:HOH319 4.3 13.3 1.0
O A:HOH313 4.3 12.9 1.0
C2 A:QMS305 4.4 22.0 1.0
C5 A:QMS305 4.4 24.2 1.0
ND1 A:HIS79 4.4 19.1 1.0
CG A:HIS79 4.4 18.4 1.0
O A:HOH327 4.5 15.4 1.0
CE1 A:HIS178 4.6 22.1 1.0
C9 A:QMS305 4.6 22.7 1.0
OD2 A:ASP97 4.6 12.1 1.0
O A:HOH366 4.6 31.8 1.0
C7 A:QMS305 4.7 15.7 1.0
O A:HOH337 4.9 16.6 1.0

Reference:

M.Huang, S.X.Xie, Z.Q.Ma, R.P.Hanzlik, Q.Z.Ye. Metal Mediated Inhibition of Methionine Aminopeptidase By Quinolinyl Sulfonamides Biochem.Biophys.Res.Commun. V. 339 506 2006.
ISSN: ISSN 0006-291X
PubMed: 16300729
DOI: 10.1016/J.BBRC.2005.11.042
Page generated: Sat Oct 5 13:32:49 2024

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