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Chlorine in PDB 9eob: Engineered GH181 Sialidase From Akkermansia Muciniphila

Enzymatic activity of Engineered GH181 Sialidase From Akkermansia Muciniphila

All present enzymatic activity of Engineered GH181 Sialidase From Akkermansia Muciniphila:
3.2.1.18;

Protein crystallography data

The structure of Engineered GH181 Sialidase From Akkermansia Muciniphila, PDB code: 9eob was solved by M.J.Pichler, S.Banerjee, T.S.Nielsen, J.P.Morth, M.Abou Hachem, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 66.02 / 1.77
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 74.67, 88.189, 99.585, 90, 90, 90
R / Rfree (%) 15.5 / 19.5

Other elements in 9eob:

The structure of Engineered GH181 Sialidase From Akkermansia Muciniphila also contains other interesting chemical elements:

Nickel (Ni) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Engineered GH181 Sialidase From Akkermansia Muciniphila (pdb code 9eob). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Engineered GH181 Sialidase From Akkermansia Muciniphila, PDB code: 9eob:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 9eob

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Chlorine binding site 1 out of 8 in the Engineered GH181 Sialidase From Akkermansia Muciniphila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Engineered GH181 Sialidase From Akkermansia Muciniphila within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl721

b:21.2
occ:1.00
 O A:HOH1129 3.3 20.1 1.0
NH2 A:ARG106 3.3 19.3 1.0
NE2 A:GLN108 3.4 19.8 1.0
N A:PHE113 3.4 19.1 1.0
N A:GLY86 3.5 23.8 1.0
CG A:GLN108 3.6 17.4 1.0
N A:TYR85 3.6 22.4 1.0
CA A:GLY112 3.7 20.4 1.0
CE2 A:PHE115 3.8 18.8 1.0
CB A:TYR85 3.9 23.8 1.0
CD A:GLN108 4.0 18.2 1.0
CA A:TYR85 4.1 22.7 1.0
C A:GLY112 4.1 18.4 1.0
CD2 A:PHE113 4.2 21.6 1.0
O A:PHE113 4.3 20.6 1.0
C A:TYR85 4.3 25.4 1.0
CD2 A:PHE115 4.3 20.2 1.0
CA A:PHE113 4.3 20.1 1.0
CA A:GLY86 4.3 21.9 1.0
CB A:PHE113 4.4 21.4 1.0
O A:PRO83 4.4 19.4 1.0
CZ A:ARG106 4.4 21.4 1.0
CD2 A:TYR85 4.5 21.3 1.0
C A:ASN84 4.6 22.0 1.0
CG A:PHE113 4.6 21.1 1.0
NE A:ARG106 4.7 20.8 1.0
C A:PHE113 4.7 19.1 1.0
CG A:TYR85 4.7 21.3 1.0
CA A:ASN84 4.8 21.9 1.0
CZ A:PHE115 4.9 21.1 1.0
O A:HOH1002 5.0 18.8 1.0
N A:GLY112 5.0 21.7 1.0
C A:GLY86 5.0 21.1 1.0
CB A:GLN108 5.0 19.6 1.0

Chlorine binding site 2 out of 8 in 9eob

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Chlorine binding site 2 out of 8 in the Engineered GH181 Sialidase From Akkermansia Muciniphila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Engineered GH181 Sialidase From Akkermansia Muciniphila within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl722

b:50.2
occ:1.00
 O A:HOH1298 2.8 20.1 1.0
O A:PRO335 2.8 23.9 1.0
ND2 A:ASN415 2.9 22.0 1.0
CB A:ASN415 3.4 19.9 1.0
CG A:ASN415 3.5 22.4 1.0
CD1 A:ILE405 4.0 24.6 1.0
C A:PRO335 4.0 21.2 1.0
O A:HOH837 4.2 33.3 1.0
CA A:PRO335 4.5 24.8 1.0
CB A:PRO335 4.6 27.8 1.0
OD1 A:ASN415 4.7 22.8 1.0
CA A:ASN415 4.8 19.2 1.0
O A:HOH908 4.9 17.6 1.0
OG1 A:THR339 5.0 49.8 1.0

Chlorine binding site 3 out of 8 in 9eob

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Chlorine binding site 3 out of 8 in the Engineered GH181 Sialidase From Akkermansia Muciniphila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Engineered GH181 Sialidase From Akkermansia Muciniphila within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl723

b:50.1
occ:1.00
 NH1 A:ARG204 3.3 36.8 1.0
NH2 A:ARG204 3.5 32.7 1.0
CZ A:ARG204 3.8 35.5 1.0

Chlorine binding site 4 out of 8 in 9eob

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Chlorine binding site 4 out of 8 in the Engineered GH181 Sialidase From Akkermansia Muciniphila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Engineered GH181 Sialidase From Akkermansia Muciniphila within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl724

b:56.6
occ:1.00
 O A:HOH1171 2.6 34.4 1.0
ND1 A:HIS180 2.7 22.4 1.0
O A:HIS190 3.2 25.7 1.0
CG A:HIS180 3.5 19.7 1.0
CB A:HIS180 3.5 20.0 1.0
CB A:TRP189 3.6 22.4 1.0
CG2 A:VAL191 3.6 28.7 1.0
C A:HIS190 3.6 23.5 1.0
CA A:HIS180 3.7 19.8 1.0
CE1 A:HIS180 3.8 22.2 1.0
CD2 A:LEU150 3.9 21.9 1.0
N A:HIS190 4.0 22.0 1.0
CA A:HIS190 4.1 23.8 1.0
N A:VAL191 4.2 24.1 1.0
C A:TRP189 4.3 25.8 1.0
N A:ILE181 4.5 19.9 1.0
CG A:TRP189 4.5 22.3 1.0
CA A:VAL191 4.5 23.2 1.0
O A:HOH1221 4.5 31.1 1.0
CE3 A:TRP189 4.5 23.0 1.0
CA A:TRP189 4.6 25.5 1.0
C A:HIS180 4.6 18.7 1.0
CD2 A:HIS180 4.6 22.2 1.0
CB A:VAL191 4.7 23.2 1.0
NE2 A:HIS180 4.8 19.7 1.0
O A:TRP189 4.8 23.1 1.0
CD2 A:TRP189 4.8 20.9 1.0
N A:HIS180 4.9 20.0 1.0
CE A:LYS148 5.0 31.3 1.0

Chlorine binding site 5 out of 8 in 9eob

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Chlorine binding site 5 out of 8 in the Engineered GH181 Sialidase From Akkermansia Muciniphila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Engineered GH181 Sialidase From Akkermansia Muciniphila within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl725

b:70.0
occ:1.00
 O A:HOH1192 2.9 37.0 1.0
CZ2 A:TRP230 4.0 23.4 1.0
CE2 A:TRP230 4.0 20.2 1.0
CH2 A:TRP230 4.0 20.4 1.0
CD2 A:TRP230 4.2 18.8 1.0
CZ3 A:TRP230 4.2 20.6 1.0
O A:HOH1225 4.3 37.2 1.0
CE3 A:TRP230 4.3 20.8 1.0
O A:GLY317 4.4 26.9 1.0
CA A:GLY317 4.5 23.6 1.0
NE1 A:TRP230 4.6 20.9 1.0
O A:HOH1015 4.6 25.5 1.0
CE2 A:PHE244 4.6 22.4 1.0
CZ A:PHE244 4.7 22.2 1.0
O A:GLU316 4.7 25.4 1.0
C A:GLY317 4.8 26.8 1.0
CG A:TRP230 4.9 20.1 1.0
OE1 A:GLN242 5.0 20.7 1.0
CZ2 A:TRP320 5.0 21.8 1.0

Chlorine binding site 6 out of 8 in 9eob

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Chlorine binding site 6 out of 8 in the Engineered GH181 Sialidase From Akkermansia Muciniphila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Engineered GH181 Sialidase From Akkermansia Muciniphila within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl726

b:64.0
occ:1.00
 ND2 A:ASN333 3.0 21.9 1.0
O A:HOH1049 3.0 25.4 1.0
O A:HOH866 3.2 29.6 1.0
O A:HOH1337 3.7 30.2 1.0
CG A:ASN333 3.9 21.4 1.0
CB A:ASN333 3.9 20.9 1.0
O A:HOH1311 4.1 26.3 1.0
OD1 A:ASP396 4.4 28.7 1.0
O A:HOH1312 4.4 46.0 1.0
O A:GLU330 4.5 23.1 1.0
O A:HOH1184 4.5 22.1 1.0
CG A:ASP396 4.9 28.6 1.0
N A:ASN333 5.0 17.9 1.0

Chlorine binding site 7 out of 8 in 9eob

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Chlorine binding site 7 out of 8 in the Engineered GH181 Sialidase From Akkermansia Muciniphila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Engineered GH181 Sialidase From Akkermansia Muciniphila within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl727

b:50.6
occ:1.00
 NZ A:LYS149 2.8 59.2 1.0
N A:GLY112 3.1 21.7 1.0
CA A:GLY111 3.8 21.4 1.0
CA A:GLY112 3.9 20.4 1.0
C A:GLY111 4.0 20.7 1.0
CE A:LYS149 4.1 50.2 1.0
CA A:GLY86 4.5 21.9 1.0
O A:HOH1104 4.6 36.1 1.0
O A:TYR85 4.7 24.7 1.0
O A:HOH1325 4.8 27.6 1.0
C A:GLY112 4.9 18.4 1.0
N A:GLY86 5.0 23.8 1.0
O A:GLY112 5.0 20.4 1.0

Chlorine binding site 8 out of 8 in 9eob

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Chlorine binding site 8 out of 8 in the Engineered GH181 Sialidase From Akkermansia Muciniphila


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Engineered GH181 Sialidase From Akkermansia Muciniphila within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl728

b:70.7
occ:1.00
 O A:PRO343 3.1 76.8 1.0
OD1 A:ASP345 4.0 48.7 1.0
NZ A:LYS90 4.0 42.6 1.0
O A:HOH859 4.0 44.3 1.0
CG A:ASP345 4.2 40.9 1.0
C A:PRO343 4.3 70.3 1.0
N A:ASP345 4.4 31.0 1.0
OD2 A:ASP345 4.5 38.8 1.0
CD2 A:HIS411 4.6 29.8 1.0
CA A:GLU344 4.7 43.7 1.0
CG A:HIS411 4.9 30.3 1.0
O A:HOH809 4.9 39.5 1.0
NE2 A:HIS411 4.9 27.2 1.0
C A:GLU344 5.0 39.5 1.0

Reference:

M.J.Pichler, M.Corbella, S.Banerjee, T.S.Nielsen, J.P.Morth, C.Rovira, M.Abou Hachem. Engineered GH181 Sialidase From Akkermansia Muciniphila To Be Published.
Page generated: Sun Jul 13 16:32:42 2025

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