Atomistry » Chlorine » PDB 9emd-9f38 » 9eob
Atomistry »
  Chlorine »
    PDB 9emd-9f38 »
      9eob »

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

Go back to Chlorine Binding Sites List in 9eob
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

Go back to Chlorine Binding Sites List in 9eob
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

Go back to Chlorine Binding Sites List in 9eob
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

Go back to Chlorine Binding Sites List in 9eob
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

Go back to Chlorine Binding Sites List in 9eob
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

Go back to Chlorine Binding Sites List in 9eob
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

Go back to Chlorine Binding Sites List in 9eob
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

Go back to Chlorine Binding Sites List in 9eob
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

Last articles

Cu in 1JCV
Cu in 1ILU
Cu in 1J9S
Cu in 1J9Q
Cu in 1J5D
Cu in 1J5C
Cu in 1IVX
Cu in 1IVW
Cu in 1IVV
Cu in 1IVU
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy