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Bromine in PDB 5wc8: Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution

Protein crystallography data

The structure of Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution, PDB code: 5wc8 was solved by L.J.Worrall, C.Lizak, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.76 / 2.75
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 78.080, 78.080, 303.290, 90.00, 90.00, 120.00
R / Rfree (%) 19 / 24.2

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 36;

Binding sites:

The binding sites of Bromine atom in the Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution (pdb code 5wc8). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 36 binding sites of Bromine where determined in the Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution, PDB code: 5wc8:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 36 in 5wc8

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Bromine binding site 1 out of 36 in the Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Br501

b:68.4
occ:0.67
 NZ M:LYS118 2.5 88.3 1.0
NZ M:LYS114 3.7 65.2 1.0
CE M:LYS118 3.7 92.7 1.0
CE M:LYS114 3.8 66.3 1.0
CD M:LYS118 5.0 80.2 1.0

Bromine binding site 2 out of 36 in 5wc8

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Bromine binding site 2 out of 36 in the Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Br502

b:66.2
occ:0.66
 CG M:GLU213 3.3 97.7 1.0
CB M:GLU213 3.4 84.1 1.0
N M:GLU213 3.4 69.4 1.0
CA M:PHE211 3.5 60.2 1.0
C M:PHE211 3.6 59.4 1.0
CD M:PRO212 3.7 60.0 1.0
N M:PRO212 3.7 59.1 1.0
CB M:PHE211 3.8 62.7 1.0
CA M:GLU213 4.0 71.8 1.0
O M:PHE211 4.3 59.1 1.0
CD1 M:PHE211 4.4 61.9 1.0
C M:PRO212 4.4 66.5 1.0
CA M:PRO212 4.6 60.2 1.0
CG M:PHE211 4.6 62.9 1.0
CD M:GLU213 4.7 0.4 1.0
O M:ALA210 4.7 59.3 1.0
N M:LYS214 4.7 64.8 1.0
N M:PHE211 4.8 62.5 1.0
CG M:PRO212 4.8 59.1 1.0
C M:GLU213 4.8 66.9 1.0
CB M:PRO212 5.0 58.8 1.0

Bromine binding site 3 out of 36 in 5wc8

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Bromine binding site 3 out of 36 in the Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Br503

b:53.1
occ:0.52
 CA M:SER97 3.4 61.2 1.0
N M:MET99 3.4 47.6 1.0
C M:SER97 3.5 54.1 1.0
N M:PRO98 3.5 47.9 1.0
CD M:PRO98 3.5 49.3 1.0
CB M:MET99 3.6 52.9 1.0
CG M:MET99 3.8 59.9 1.0
CA M:MET99 4.0 50.4 1.0
CB M:SER97 4.0 59.8 1.0
O M:SER97 4.1 53.3 1.0
CG M:PRO98 4.4 48.1 1.0
OG M:SER97 4.4 59.6 1.0
C M:PRO98 4.4 45.2 1.0
N M:ARG100 4.4 55.2 1.0
CA M:PRO98 4.5 48.2 1.0
N M:SER97 4.5 60.0 1.0
C M:MET99 4.6 50.9 1.0
CG M:ARG100 4.8 89.5 1.0

Bromine binding site 4 out of 36 in 5wc8

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Bromine binding site 4 out of 36 in the Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Br504

b:67.5
occ:0.58
 OG1 M:THR67 3.1 55.8 1.0
N M:SER97 3.7 60.0 1.0
CG2 M:THR67 3.8 52.8 1.0
CB M:THR67 3.8 55.1 1.0
CB M:ALA69 4.0 62.3 1.0
CD M:PRO98 4.2 49.3 1.0
CA M:SER97 4.3 61.2 1.0
CG M:LYS96 4.6 97.3 1.0
CA M:LYS96 4.6 75.5 1.0
C M:LYS96 4.7 66.9 1.0
OG M:SER97 4.9 59.6 1.0

Bromine binding site 5 out of 36 in 5wc8

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Bromine binding site 5 out of 36 in the Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Br505

b:59.8
occ:0.59
 N M:LYS58 3.5 73.2 1.0
ND2 M:ASN35 3.5 51.9 1.0
CA M:LEU57 3.9 77.9 1.0
O M:LYS58 3.9 64.9 1.0
CD2 M:LEU57 4.1 74.4 1.0
CG2 M:THR34 4.1 67.7 1.0
C M:LEU57 4.2 77.2 1.0
CA M:LYS58 4.3 79.8 1.0
CB M:LYS58 4.4 85.6 1.0
CG M:ASN35 4.4 56.6 1.0
CB M:LEU57 4.4 78.7 1.0
OD1 M:ASN35 4.5 55.7 1.0
C M:LYS58 4.6 75.3 1.0
O M:LYS56 4.6 81.0 1.0
CB M:THR34 4.7 65.8 1.0
CG M:LEU57 4.9 76.6 1.0

Bromine binding site 6 out of 36 in 5wc8

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Bromine binding site 6 out of 36 in the Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Br506

b:57.2
occ:0.52
 O M:HOH618 3.0 51.3 1.0
NE2 M:HIS133 3.2 40.8 1.0
OH M:TYR134 3.4 47.9 1.0
CG M:PRO98 3.7 48.1 1.0
CE2 M:TYR134 3.8 43.4 1.0
CE1 M:HIS133 4.0 44.8 1.0
CZ M:TYR134 4.0 44.2 1.0
SD M:MET99 4.2 63.2 1.0
CD2 M:HIS133 4.3 39.1 1.0
CG M:MET99 4.4 59.9 1.0
CB M:PRO98 4.6 49.6 1.0
CD1 M:LEU94 4.6 55.2 1.0
CD M:PRO98 4.8 49.3 1.0
CB M:SER40 4.8 52.6 1.0
CD2 M:TYR134 5.0 41.8 1.0

Bromine binding site 7 out of 36 in 5wc8

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Bromine binding site 7 out of 36 in the Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Br507

b:57.8
occ:0.48
 N M:ARG259 3.3 49.7 1.0
CD2 M:HIS291 3.7 67.9 1.0
CA M:GLN258 3.8 42.9 1.0
CB M:GLN258 3.9 40.5 1.0
C M:GLN258 4.1 44.9 1.0
O M:ARG259 4.1 46.5 1.0
CB M:ARG259 4.2 64.9 1.0
CA M:ARG259 4.2 55.3 1.0
CG M:GLN258 4.2 40.9 1.0
NE M:ARG259 4.3 95.5 1.0
NE2 M:HIS291 4.5 71.8 1.0
CG M:ARG259 4.6 72.4 1.0
CG M:HIS291 4.6 63.7 1.0
C M:ARG259 4.7 51.1 1.0
NH1 M:ARG259 4.8 99.1 1.0

Bromine binding site 8 out of 36 in 5wc8

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Bromine binding site 8 out of 36 in the Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Br508

b:49.5
occ:0.36
 OG M:SER269 3.1 57.3 1.0
CG M:GLU266 3.9 65.0 1.0
CA M:GLU266 4.0 59.6 1.0
CB M:SER269 4.0 51.6 1.0
CG M:ARG265 4.1 86.0 1.0
CD M:LYS368 4.1 56.4 1.0
O M:ARG265 4.1 58.5 1.0
N M:GLU266 4.3 58.8 1.0
C M:ARG265 4.3 60.8 1.0
NZ M:LYS368 4.4 64.3 1.0
CB M:GLU266 4.5 60.4 1.0
CD M:GLU266 4.7 66.0 1.0
CE M:LYS368 4.7 58.4 1.0
CD M:ARG265 4.9 93.0 1.0
CB M:ARG265 4.9 72.4 1.0

Bromine binding site 9 out of 36 in 5wc8

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Bromine binding site 9 out of 36 in the Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Br509

b:73.4
occ:0.35
 O M:HOH609 2.4 49.7 1.0
NH1 M:ARG332 3.4 99.3 1.0
NZ M:LYS251 3.5 99.3 1.0
NH2 M:ARG332 3.7 0.4 1.0
CZ M:ARG332 3.7 0.6 1.0
CE M:LYS251 4.3 0.7 1.0
NE M:ARG332 4.7 0.1 1.0

Bromine binding site 10 out of 36 in 5wc8

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Bromine binding site 10 out of 36 in the Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Structure of A Bacterial Polysialyltransferase at 2.75 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Br510

b:95.0
occ:0.78
 N M:LYS96 3.3 70.3 1.0
CA M:PRO95 3.6 54.9 1.0
C M:PRO95 3.9 61.5 1.0
CB M:PRO95 4.1 54.2 1.0
CB M:LYS96 4.2 83.8 1.0
CA M:LYS96 4.3 75.5 1.0
CD M:LYS96 4.7 98.8 1.0
CG M:LYS96 4.8 97.3 1.0
O M:LEU94 4.8 64.1 1.0
N M:PRO95 4.8 50.6 1.0

Reference:

C.Lizak, L.J.Worrall, L.Baumann, M.M.Pfleiderer, G.Volkers, T.Sun, L.Sim, W.Wakarchuk, S.G.Withers, N.C.J.Strynadka. X-Ray Crystallographic Structure of A Bacterial Polysialyltransferase Provides Insight Into the Biosynthesis of Capsular Polysialic Acid. Sci Rep V. 7 5842 2017.
ISSN: ESSN 2045-2322
PubMed: 28724897
DOI: 10.1038/S41598-017-05627-Z
Page generated: Thu Jul 11 01:15:29 2024

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