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Manganese in PDB 1fqw: Crystal Structure of Activated Chey

Protein crystallography data

The structure of Crystal Structure of Activated Chey, PDB code: 1fqw was solved by S.Y.Lee, H.S.Cho, J.G.Pelton, D.Yan, E.A.Berry, D.E.Wemmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.37
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.684, 53.911, 161.532, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 24

Other elements in 1fqw:

The structure of Crystal Structure of Activated Chey also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Activated Chey (pdb code 1fqw). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Activated Chey, PDB code: 1fqw:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 1fqw

Go back to Manganese Binding Sites List in 1fqw
Manganese binding site 1 out of 2 in the Crystal Structure of Activated Chey


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Activated Chey within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn202

b:33.1
occ:1.00
F1 A:BEF130 2.1 40.3 1.0
OD2 A:ASP57 2.1 25.4 1.0
O A:ASN59 2.3 27.0 1.0
OD1 A:ASP13 2.3 44.5 1.0
O A:HOH231 2.4 35.9 1.0
O A:HOH206 2.4 37.7 1.0
CG A:ASP57 3.2 26.2 1.0
CG A:ASP13 3.2 35.0 1.0
BE A:BEF130 3.4 31.1 1.0
C A:ASN59 3.4 37.9 1.0
OD2 A:ASP13 3.4 33.5 1.0
OD1 A:ASP57 3.6 19.3 1.0
O A:HOH233 3.8 43.3 1.0
CD2 A:PHE14 3.9 58.0 1.0
OD1 A:ASP12 4.0 28.0 1.0
CB A:ASN59 4.0 45.5 1.0
CA A:ASN59 4.1 38.1 1.0
CE2 A:PHE14 4.2 62.8 1.0
F3 A:BEF130 4.2 34.0 1.0
O A:HOH280 4.3 60.3 1.0
N A:ASN59 4.3 37.4 1.0
CG A:MET60 4.4 20.2 1.0
F2 A:BEF130 4.4 34.6 1.0
CB A:ASP57 4.5 26.6 1.0
N A:MET60 4.5 34.9 1.0
CG A:ASP12 4.6 29.6 1.0
OD2 A:ASP12 4.6 33.3 1.0
N A:ASP13 4.6 33.0 1.0
CB A:ASP13 4.6 31.9 1.0
ND2 A:ASN59 4.7 70.9 1.0
CG A:ASN59 4.7 65.8 1.0
NZ A:LYS109 4.8 32.0 1.0
CA A:MET60 4.9 38.6 1.0

Manganese binding site 2 out of 2 in 1fqw

Go back to Manganese Binding Sites List in 1fqw
Manganese binding site 2 out of 2 in the Crystal Structure of Activated Chey


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Activated Chey within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn201

b:36.2
occ:1.00
OD2 B:ASP57 2.2 14.6 1.0
F1 B:BEF130 2.2 37.2 1.0
OD1 B:ASP13 2.3 29.8 1.0
O B:ASN59 2.3 41.3 1.0
O B:HOH205 2.5 37.3 1.0
O B:HOH241 2.5 49.1 1.0
CG B:ASP13 3.1 36.7 1.0
OD2 B:ASP13 3.3 38.1 1.0
CG B:ASP57 3.3 26.5 1.0
O B:HOH232 3.4 64.3 1.0
BE B:BEF130 3.5 33.9 1.0
C B:ASN59 3.5 43.4 1.0
OD1 B:ASP57 3.8 24.5 1.0
O B:HOH249 3.9 44.0 1.0
CB B:ASN59 4.1 37.3 1.0
CD2 B:PHE14 4.2 69.8 1.0
CA B:ASN59 4.2 38.6 1.0
OD1 B:ASP12 4.3 23.6 1.0
F3 B:BEF130 4.4 29.7 1.0
F2 B:BEF130 4.4 35.8 1.0
CE2 B:PHE14 4.5 71.0 1.0
CG B:MET60 4.5 29.2 1.0
N B:ASN59 4.5 33.3 1.0
CB B:ASP13 4.5 32.1 1.0
N B:MET60 4.5 43.1 1.0
CB B:ASP57 4.6 20.6 1.0
N B:ASP13 4.7 24.4 1.0
CG B:ASN59 4.7 48.1 1.0
ND2 B:ASN59 4.7 49.7 1.0
CA B:MET60 4.8 37.0 1.0
CG B:ASP12 4.9 29.1 1.0
OD2 B:ASP12 4.9 37.8 1.0
NZ B:LYS109 4.9 34.0 1.0

Reference:

S.Y.Lee, H.S.Cho, J.G.Pelton, D.Yan, E.A.Berry, D.E.Wemmer. Crystal Structure of Activated Chey. Comparison with Other Activated Receiver Domains. J.Biol.Chem. V. 276 16425 2001.
ISSN: ISSN 0021-9258
PubMed: 11279165
DOI: 10.1074/JBC.M101002200
Page generated: Sat Oct 5 10:26:48 2024

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