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Potassium in PDB 4a34: Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae

Protein crystallography data

The structure of Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae, PDB code: 4a34 was solved by M.A.Higgins, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.97 / 2.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 64.319, 144.158, 165.460, 90.00, 97.51, 90.00
R / Rfree (%) 22.482 / 29.174

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae (pdb code 4a34). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 10 binding sites of Potassium where determined in the Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae, PDB code: 4a34:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Potassium binding site 1 out of 10 in 4a34

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Potassium binding site 1 out of 10 in the Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1143

b:36.3
occ:1.00
 O F:ARG44 2.5 31.6 1.0
O B:HOH2010 2.6 23.4 1.0
O B:ARG44 2.7 32.2 1.0
O B:HOH2025 2.9 32.0 1.0
O F:HOH2022 3.0 34.2 1.0
O F:HOH2002 3.5 43.6 1.0
C F:ARG44 3.6 31.8 1.0
C B:ARG44 3.6 32.6 1.0
O F:HOH2018 3.7 32.0 1.0
CB B:ARG44 4.0 32.4 1.0
CB F:ARG44 4.1 31.6 1.0
O B:HOH2024 4.3 34.2 1.0
O B:HOH2026 4.3 11.4 1.0
CA F:ARG44 4.4 31.8 1.0
CA B:ARG44 4.4 32.4 1.0
N F:CYS45 4.4 32.2 1.0
N B:CYS45 4.5 32.8 1.0
CA F:CYS45 4.5 32.6 1.0
O B:HOH2028 4.5 30.9 1.0
CA B:CYS45 4.5 32.7 1.0
N F:ARG44 4.9 31.6 1.0
N B:ARG44 4.9 32.6 1.0
N B:ASP46 5.0 33.3 1.0

Potassium binding site 2 out of 10 in 4a34

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Potassium binding site 2 out of 10 in the Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1143

b:58.4
occ:1.00
 O G:ARG44 2.6 34.5 1.0
O C:ARG44 2.7 32.5 1.0
O G:HOH2012 2.8 26.1 1.0
O C:HOH2025 2.9 33.3 1.0
C G:ARG44 3.6 33.8 1.0
C C:ARG44 3.7 32.5 1.0
O C:HOH2006 4.0 33.5 1.0
O G:HOH2001 4.0 39.6 1.0
CB G:ARG44 4.1 33.2 1.0
CB C:ARG44 4.2 32.5 1.0
O C:HOH2024 4.3 15.8 1.0
O C:HOH2023 4.3 29.3 1.0
CA G:ARG44 4.4 33.4 1.0
N G:CYS45 4.4 34.0 1.0
CA C:CYS45 4.4 32.8 1.0
N C:CYS45 4.4 32.5 1.0
CA G:CYS45 4.5 34.1 1.0
CA C:ARG44 4.5 32.6 1.0
N C:ASP46 4.9 33.1 1.0
N G:ASP46 4.9 34.4 1.0
N G:ARG44 4.9 32.9 1.0

Potassium binding site 3 out of 10 in 4a34

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Potassium binding site 3 out of 10 in the Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1143

b:43.9
occ:1.00
 O D:ARG44 2.6 31.4 1.0
O H:HOH2005 2.7 24.4 1.0
O H:ARG44 2.8 32.8 1.0
O H:HOH2020 2.9 21.0 1.0
O D:HOH2016 3.1 30.0 1.0
C D:ARG44 3.5 31.3 1.0
C H:ARG44 3.7 33.1 1.0
O H:HOH2017 3.9 32.2 1.0
CB H:ARG44 4.1 32.8 1.0
CB D:ARG44 4.1 31.3 1.0
O D:HOH2015 4.3 35.3 1.0
O D:HOH2018 4.3 11.3 1.0
CA D:ARG44 4.3 31.2 1.0
N D:CYS45 4.3 31.4 1.0
CA H:ARG44 4.5 32.8 1.0
CA D:CYS45 4.5 31.3 1.0
N H:CYS45 4.5 33.5 1.0
CA H:CYS45 4.6 33.9 1.0
O H:HOH2019 4.8 35.7 1.0
N D:ARG44 4.8 30.7 1.0
N H:ARG44 5.0 32.7 1.0

Potassium binding site 4 out of 10 in 4a34

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Potassium binding site 4 out of 10 in the Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
E:K1142

b:56.9
occ:1.00
 O I:ARG44 2.6 29.8 1.0
O E:ARG44 2.7 29.6 1.0
O I:HOH2020 2.9 17.1 1.0
O E:HOH2007 2.9 21.7 1.0
O E:HOH2022 2.9 16.9 1.0
C I:ARG44 3.6 30.1 1.0
C E:ARG44 3.6 29.4 1.0
O E:HOH2005 3.8 21.6 1.0
CB E:ARG44 4.0 29.2 1.0
O E:HOH2020 4.0 25.6 1.0
CB I:ARG44 4.1 30.0 1.0
O I:HOH2017 4.2 30.7 1.0
CA E:ARG44 4.3 29.2 1.0
CA I:ARG44 4.4 30.2 1.0
N E:CYS45 4.5 29.4 1.0
N I:CYS45 4.6 30.4 1.0
O E:HOH2021 4.6 24.0 1.0
CA E:CYS45 4.6 29.6 1.0
CA I:CYS45 4.7 30.6 1.0
N E:ARG44 4.7 29.1 1.0
O E:HOH2026 4.8 11.8 1.0
N I:ARG44 4.8 30.2 1.0

Potassium binding site 5 out of 10 in 4a34

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Potassium binding site 5 out of 10 in the Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
J:K1143

b:47.3
occ:1.00
 O A:ARG44 2.6 28.7 1.0
O J:ARG44 2.6 32.2 1.0
O J:HOH2012 2.7 19.8 1.0
O J:HOH2006 2.9 22.9 1.0
O A:HOH2030 3.1 25.1 1.0
C A:ARG44 3.5 29.0 1.0
C J:ARG44 3.5 32.1 1.0
O A:HOH2005 3.6 42.0 1.0
O J:HOH2003 3.6 37.0 1.0
CB J:ARG44 3.9 32.1 1.0
O J:HOH2011 4.1 25.5 1.0
CB A:ARG44 4.1 29.0 1.0
CA J:ARG44 4.3 31.9 1.0
CA A:ARG44 4.3 28.9 1.0
N A:CYS45 4.3 28.9 1.0
N J:CYS45 4.4 32.3 1.0
CA A:CYS45 4.4 29.2 1.0
CA J:CYS45 4.5 32.5 1.0
O A:HOH2033 4.7 11.4 1.0
N A:ARG44 4.8 29.0 1.0
N J:ARG44 4.8 31.5 1.0

Potassium binding site 6 out of 10 in 4a34

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Potassium binding site 6 out of 10 in the Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
K:K1143

b:47.4
occ:1.00
 O K:ARG44 2.6 29.9 1.0
O T:ARG44 2.8 28.4 1.0
O K:HOH2031 2.8 28.4 1.0
O T:HOH2019 2.9 31.9 1.0
O T:HOH2007 2.9 17.6 1.0
C K:ARG44 3.6 29.7 1.0
C T:ARG44 3.7 28.3 1.0
O K:HOH2009 3.8 33.7 1.0
O K:HOH2013 4.1 47.1 1.0
CB T:ARG44 4.1 28.7 1.0
CB K:ARG44 4.2 29.8 1.0
O K:HOH2030 4.3 22.2 1.0
N K:CYS45 4.4 29.6 1.0
N T:CYS45 4.4 27.7 1.0
CA K:CYS45 4.4 29.4 1.0
CA T:ARG44 4.4 28.6 1.0
O K:HOH2034 4.5 11.8 1.0
CA K:ARG44 4.5 29.8 1.0
CA T:CYS45 4.5 27.7 1.0
O T:HOH2018 4.5 28.1 1.0
N K:ASP46 4.8 29.9 1.0
N T:ARG44 5.0 28.5 1.0

Potassium binding site 7 out of 10 in 4a34

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Potassium binding site 7 out of 10 in the Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
L:K1143

b:46.1
occ:1.00
 O L:ARG44 2.7 28.9 1.0
O P:ARG44 2.7 31.8 1.0
O P:HOH2025 2.8 20.5 1.0
O L:HOH2008 2.9 27.8 1.0
O L:HOH2018 2.9 37.2 1.0
O P:HOH2004 3.6 35.8 1.0
C L:ARG44 3.6 29.3 1.0
C P:ARG44 3.7 31.9 1.0
O L:HOH2004 3.8 24.9 1.0
CB L:ARG44 4.1 29.3 1.0
O P:HOH2024 4.2 38.3 1.0
CB P:ARG44 4.2 32.1 1.0
O L:HOH2020 4.3 29.1 1.0
N L:CYS45 4.4 29.6 1.0
O L:HOH2017 4.4 5.0 1.0
CA L:CYS45 4.4 30.0 1.0
CA L:ARG44 4.4 29.3 1.0
CA P:CYS45 4.5 31.3 1.0
N P:CYS45 4.5 31.5 1.0
CA P:ARG44 4.6 32.0 1.0
O L:HOH2016 4.6 37.2 1.0
N L:ASP46 4.8 31.4 1.0
N P:ASP46 4.8 31.2 1.0

Potassium binding site 8 out of 10 in 4a34

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Potassium binding site 8 out of 10 in the Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
N:K1143

b:47.9
occ:1.00
 O N:ARG44 2.5 28.5 1.0
O N:HOH2010 2.7 27.2 1.0
O R:ARG44 2.7 32.7 1.0
O N:HOH2026 2.9 28.0 1.0
O R:HOH2020 3.0 21.9 1.0
O R:HOH2001 3.5 22.9 1.0
C N:ARG44 3.5 28.6 1.0
O N:HOH2005 3.6 34.6 1.0
C R:ARG44 3.7 32.9 1.0
CB N:ARG44 4.0 28.3 1.0
CB R:ARG44 4.1 32.6 1.0
O N:HOH2024 4.2 38.5 1.0
O N:HOH2025 4.3 8.1 1.0
CA N:ARG44 4.3 28.6 1.0
O R:HOH2019 4.3 26.9 1.0
N N:CYS45 4.4 28.9 1.0
CA R:ARG44 4.5 32.9 1.0
CA N:CYS45 4.5 29.3 1.0
N R:CYS45 4.5 32.7 1.0
CA R:CYS45 4.5 32.9 1.0
O R:HOH2017 4.8 34.8 1.0
N N:ARG44 4.8 28.7 1.0
N N:ASP46 4.9 30.1 1.0

Potassium binding site 9 out of 10 in 4a34

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Potassium binding site 9 out of 10 in the Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 9 of Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:K1143

b:44.6
occ:1.00
 O Q:ARG44 2.7 34.3 1.0
O M:ARG44 2.8 31.8 1.0
O M:HOH2027 2.8 30.4 1.0
C Q:ARG44 3.6 34.4 1.0
C M:ARG44 3.7 31.8 1.0
O Q:HOH2003 3.7 20.6 1.0
O M:HOH2007 3.9 29.5 1.0
CB Q:ARG44 4.0 33.8 1.0
CB M:ARG44 4.1 31.7 1.0
CA Q:ARG44 4.3 33.9 1.0
N Q:CYS45 4.4 34.5 1.0
O M:HOH2030 4.4 4.3 1.0
CA M:ARG44 4.5 31.7 1.0
CA Q:CYS45 4.5 34.6 1.0
N M:CYS45 4.5 31.8 1.0
CA M:CYS45 4.6 31.9 1.0
OD1 Q:ASP46 4.6 38.2 1.0
O M:HOH2028 4.7 32.0 1.0
N Q:ARG44 4.9 34.2 1.0
N M:ARG44 5.0 31.6 1.0

Potassium binding site 10 out of 10 in 4a34

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Potassium binding site 10 out of 10 in the Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 10 of Crystal Structure of the Fucose Mutarotase in Complex with L-Fucose From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
S:K1143

b:59.8
occ:1.00
 O S:ARG44 2.6 28.6 1.0
O O:HOH2022 2.7 19.8 1.0
O O:ARG44 2.7 26.7 1.0
O S:HOH2025 3.0 13.4 1.0
C S:ARG44 3.5 28.7 1.0
C O:ARG44 3.7 27.1 1.0
O O:HOH2008 3.8 36.0 1.0
O S:HOH2004 3.9 33.0 1.0
CB S:ARG44 4.0 28.0 1.0
CB O:ARG44 4.1 27.2 1.0
CA S:ARG44 4.3 28.2 1.0
N S:CYS45 4.4 29.0 1.0
CA O:ARG44 4.5 27.2 1.0
O O:HOH2023 4.5 31.5 1.0
N O:CYS45 4.6 27.0 1.0
CA S:CYS45 4.6 29.3 1.0
CA O:CYS45 4.6 26.8 1.0
N S:ARG44 4.7 28.1 1.0
O O:HOH2024 4.7 36.6 1.0
O O:HOH2026 4.7 8.5 1.0
N O:ARG44 5.0 27.7 1.0

Reference:

M.A.Higgins, A.B.Boraston. Structure of the Fucose Mutarotase From Streptococcus Pneumoniae in Complex with L-Fucose Acta Crystallogr.,Sect.F V. 67 1524 2011.
ISSN: ISSN 1744-3091
PubMed: 22139157
DOI: 10.1107/S1744309111046343
Page generated: Mon Aug 12 10:00:57 2024

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