Chlorine in PDB 7pxw: Lpmo, Expressed in E.Coli, in Complex with Cellotetraose

Protein crystallography data

The structure of Lpmo, Expressed in E.Coli, in Complex with Cellotetraose, PDB code: 7pxw was solved by S.Banerjee, S.J.Muderspach, T.Tandrup, J.Ipsen, C.H.Rollan, M.Norholm, K.S.Johansen, L.Lo Leggio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.58 / 1.40
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 48.77, 48.77, 109.32, 90, 90, 90
R / Rfree (%) 11.7 / 16

Other elements in 7pxw:

The structure of Lpmo, Expressed in E.Coli, in Complex with Cellotetraose also contains other interesting chemical elements:

Copper (Cu) 1 atom

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 19;

Binding sites:

The binding sites of Chlorine atom in the Lpmo, Expressed in E.Coli, in Complex with Cellotetraose (pdb code 7pxw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 19 binding sites of Chlorine where determined in the Lpmo, Expressed in E.Coli, in Complex with Cellotetraose, PDB code: 7pxw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 19 in 7pxw

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Chlorine binding site 1 out of 19 in the Lpmo, Expressed in E.Coli, in Complex with Cellotetraose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lpmo, Expressed in E.Coli, in Complex with Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:44.0
occ:1.00
 O A:HOH632 3.0 43.4 1.0
N A:GLN228 3.2 20.9 1.0
CA A:ALA121 3.7 20.8 1.0
CA A:ALA227 3.8 18.6 1.0
CB A:GLN228 3.9 21.6 1.0
CB A:ALA121 3.9 21.4 1.0
O A:HOH634 3.9 33.7 1.0
C A:ALA227 4.0 19.0 1.0
O A:THR120 4.1 23.2 1.0
CA A:GLN228 4.2 21.7 1.0
N A:ALA121 4.3 19.5 1.0
CB A:ALA227 4.4 22.5 1.0
C A:THR120 4.5 21.1 1.0
CG2 A:THR120 4.8 33.8 1.0
C A:ALA121 4.8 17.5 1.0
N A:ALA227 4.9 19.9 1.0
O A:GLN228 5.0 26.9 1.0

Chlorine binding site 2 out of 19 in 7pxw

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Chlorine binding site 2 out of 19 in the Lpmo, Expressed in E.Coli, in Complex with Cellotetraose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Lpmo, Expressed in E.Coli, in Complex with Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:44.3
occ:1.00
 O A:HOH774 2.7 26.5 0.5
O A:HOH611 3.0 45.1 1.0
N A:SER219 3.1 21.3 1.0
O A:HOH613 3.3 48.1 1.0
OG A:SER219 3.5 33.7 1.0
CL A:CL413 3.5 35.7 0.6
CD1 A:TRP218 3.6 20.8 1.0
CA A:TRP218 3.7 16.8 1.0
CB A:SER219 3.7 31.1 1.0
C A:TRP218 3.9 18.6 1.0
CA A:SER219 4.0 24.1 1.0
CG A:TRP218 4.4 18.1 1.0
O A:VAL217 4.5 20.4 1.0
CB A:TRP218 4.5 18.5 1.0
NE1 A:TRP218 4.6 19.8 1.0
N A:TRP218 4.8 16.9 1.0

Chlorine binding site 3 out of 19 in 7pxw

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Chlorine binding site 3 out of 19 in the Lpmo, Expressed in E.Coli, in Complex with Cellotetraose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Lpmo, Expressed in E.Coli, in Complex with Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:56.8
occ:1.00
 N A:ALA183 3.2 22.3 1.0
CB A:PRO182 3.8 25.4 1.0
CA A:PRO182 3.8 21.2 1.0
CB A:ALA183 3.9 27.5 1.0
C A:PRO182 4.0 19.5 1.0
CA A:ALA183 4.1 25.2 1.0
O A:ALA183 4.9 22.5 1.0

Chlorine binding site 4 out of 19 in 7pxw

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Chlorine binding site 4 out of 19 in the Lpmo, Expressed in E.Coli, in Complex with Cellotetraose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Lpmo, Expressed in E.Coli, in Complex with Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:71.7
occ:1.00
 O A:HOH731 2.5 62.8 1.0
O A:HOH668 3.5 31.4 1.0
O A:HOH598 3.5 37.3 1.0
ND2 A:ASN96 3.7 30.3 1.0
CB A:ASN96 4.1 25.3 1.0
CG A:ASN96 4.5 26.4 1.0
CB A:ALA183 4.9 27.5 1.0
O A:ASN96 5.0 21.7 1.0

Chlorine binding site 5 out of 19 in 7pxw

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Chlorine binding site 5 out of 19 in the Lpmo, Expressed in E.Coli, in Complex with Cellotetraose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Lpmo, Expressed in E.Coli, in Complex with Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:75.2
occ:1.00
 OG A:SER219 3.2 33.7 1.0
CA A:GLY220 3.5 22.8 1.0
N A:GLY220 3.5 21.0 1.0
C A:SER219 3.8 21.5 1.0
CG2 A:THR179 4.0 23.2 1.0
CB A:SER219 4.0 31.1 1.0
O A:SER219 4.1 25.9 1.0
O A:HOH537 4.1 44.4 1.0
CB A:THR179 4.3 22.4 1.0
O A:HOH685 4.3 29.3 1.0
NE1 A:TRP218 4.4 19.8 1.0
CA A:SER219 4.5 24.1 1.0
CE2 A:TRP218 4.6 19.1 1.0
CZ2 A:TRP218 4.6 21.1 1.0
C A:GLY220 5.0 21.6 1.0
CA A:THR179 5.0 21.2 1.0

Chlorine binding site 6 out of 19 in 7pxw

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Chlorine binding site 6 out of 19 in the Lpmo, Expressed in E.Coli, in Complex with Cellotetraose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Lpmo, Expressed in E.Coli, in Complex with Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl409

b:55.5
occ:1.00
 N A:VAL217 3.1 17.6 1.0
O A:HOH712 3.4 38.0 1.0
CG2 A:VAL217 3.6 20.3 1.0
CA A:SER216 3.6 21.1 1.0
CB A:VAL217 3.8 18.5 1.0
CB A:SER216 3.8 23.6 1.0
C A:SER216 3.9 18.1 1.0
CA A:VAL217 4.0 17.2 1.0
O A:HOH649 4.7 53.3 1.0
O A:HOH728 4.8 35.5 1.0
CB A:GLU103 4.9 20.1 1.0
O A:VAL217 4.9 20.4 1.0
N A:SER216 5.0 19.0 1.0

Chlorine binding site 7 out of 19 in 7pxw

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Chlorine binding site 7 out of 19 in the Lpmo, Expressed in E.Coli, in Complex with Cellotetraose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Lpmo, Expressed in E.Coli, in Complex with Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl410

b:52.3
occ:1.00
 OE1 A:GLN155 2.5 40.2 1.0
O A:HOH725 2.8 45.8 1.0
N A:LEU152 3.0 19.6 1.0
O A:HOH760 3.0 46.9 1.0
CB A:GLN155 3.4 25.4 1.0
CA A:SER151 3.4 20.5 1.0
CD A:GLN155 3.5 46.8 1.0
C A:SER151 3.7 18.2 1.0
NE2 A:GLN199 3.7 23.9 1.0
CG A:GLN155 3.8 30.5 1.0
CB A:SER151 3.9 26.1 1.0
CB A:LEU152 3.9 18.6 1.0
CA A:LEU152 4.0 17.0 1.0
O A:LEU152 4.1 18.0 1.0
CG A:LEU152 4.3 22.5 1.0
O A:ASP150 4.5 22.2 1.0
OG A:SER151 4.5 28.4 1.0
C A:LEU152 4.5 18.4 1.0
CD1 A:LEU152 4.6 26.0 1.0
NE2 A:GLN155 4.7 43.8 1.0
N A:SER151 4.7 18.5 1.0
CA A:GLN155 4.7 23.3 1.0
CD A:GLN199 4.8 23.0 1.0
O A:SER151 4.9 19.6 1.0

Chlorine binding site 8 out of 19 in 7pxw

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Chlorine binding site 8 out of 19 in the Lpmo, Expressed in E.Coli, in Complex with Cellotetraose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Lpmo, Expressed in E.Coli, in Complex with Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl411

b:72.8
occ:1.00
 CA A:GLY230 3.8 31.8 1.0
C A:GLY230 3.8 26.0 1.0
CG A:GLN228 3.8 23.5 1.0
N A:GLY230 3.8 27.3 1.0
C A:VAL229 3.9 24.0 1.0
O A:VAL229 3.9 25.9 1.0
O A:GLN228 4.0 26.9 1.0
CD A:GLN228 4.0 25.8 1.0
N A:ASP231 4.1 26.9 1.0
OE1 A:GLN228 4.2 32.8 1.0
O A:GLY230 4.2 25.4 1.0
C A:GLN228 4.3 22.2 1.0
O A:HOH543 4.4 46.9 1.0
CB A:GLN228 4.5 21.6 1.0
NE2 A:GLN228 4.5 25.8 1.0
CA A:VAL229 4.6 23.7 0.5
N A:VAL229 4.6 20.6 1.0
CA A:VAL229 4.7 22.1 0.5
CB A:ASP231 4.8 35.4 1.0
CA A:ASP231 4.8 27.3 1.0

Chlorine binding site 9 out of 19 in 7pxw

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Chlorine binding site 9 out of 19 in the Lpmo, Expressed in E.Coli, in Complex with Cellotetraose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Lpmo, Expressed in E.Coli, in Complex with Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl412

b:65.2
occ:1.00
 O A:HOH759 2.4 55.3 1.0
O A:HOH671 2.7 60.8 1.0
N A:SER76 3.1 21.9 1.0
O A:HOH691 3.3 31.9 1.0
OG A:SER76 3.3 29.6 0.5
O A:HOH587 3.6 26.8 1.0
CA A:ALA75 3.6 20.5 1.0
OG A:SER76 3.8 26.8 0.5
CB A:SER76 3.8 25.1 0.5
C A:ALA75 3.8 20.9 1.0
CB A:SER76 3.9 24.0 0.5
CA A:SER76 4.0 20.8 0.5
CA A:SER76 4.1 20.3 0.5
CB A:ALA75 4.2 21.4 1.0
OD2 A:ASP72 4.5 51.0 1.0
O A:ILE74 4.7 20.1 1.0
N A:ALA75 4.8 19.0 1.0
O A:HOH786 4.9 36.3 1.0

Chlorine binding site 10 out of 19 in 7pxw

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Chlorine binding site 10 out of 19 in the Lpmo, Expressed in E.Coli, in Complex with Cellotetraose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Lpmo, Expressed in E.Coli, in Complex with Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl413

b:35.7
occ:0.60
 O A:HOH774 2.0 26.5 0.5
O A:HOH679 2.4 31.4 0.6
O A:HOH613 2.7 48.1 1.0
O A:HOH652 2.8 19.4 1.0
CA A:TRP218 3.5 16.8 1.0
CL A:CL405 3.5 44.3 1.0
CB A:TRP218 3.6 18.5 1.0
CD1 A:TRP218 3.6 20.8 1.0
O A:HOH768 3.8 43.5 1.0
CG A:TRP218 3.9 18.1 1.0
N A:TRP218 4.1 16.9 1.0
O A:HOH641 4.1 22.0 1.0
O A:HOH778 4.2 30.7 1.0
O A:SER216 4.3 18.5 1.0
CG1 A:VAL99 4.3 18.2 1.0
C A:VAL217 4.8 16.6 1.0
NE1 A:TRP218 4.8 19.8 1.0
C A:TRP218 4.8 18.6 1.0
CG A:PRO182 4.9 21.2 1.0
O A:HOH611 5.0 45.1 1.0
N A:SER219 5.0 21.3 1.0

Reference:

T.Tandrup, S.J.Muderspach, S.Banerjee, G.Santoni, J.O.Ipsen, C.Hernandez-Rollan, M.H.H.Norholm, K.S.Johansen, F.Meilleur, L.Lo Leggio. Changes in Active-Site Geometry on X-Ray Photoreduction of A Lytic Polysaccharide Monooxygenase Active-Site Copper and Saccharide Binding. Iucrj V. 9 666 2022.
ISSN: ESSN 2052-2525
PubMed: 36071795
DOI: 10.1107/S2052252522007175
Page generated: Tue Jul 30 02:47:29 2024

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