Chlorine in PDB 7pxr: Room Temperature Structure of An Lpmo.

Enzymatic activity of Room Temperature Structure of An Lpmo.

All present enzymatic activity of Room Temperature Structure of An Lpmo.:
1.14.99.56;

Protein crystallography data

The structure of Room Temperature Structure of An Lpmo., PDB code: 7pxr was solved by T.Tandrup, F.Meilleur, J.Ipsen, 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) 29.87 / 1.80
Space group P 41 3 2
Cell size a, b, c (Å), α, β, γ (°) 126.659, 126.659, 126.659, 90, 90, 90
R / Rfree (%) 14.7 / 16.6

Other elements in 7pxr:

The structure of Room Temperature Structure of An Lpmo. also contains other interesting chemical elements:

Copper (Cu) 1 atom

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Room Temperature Structure of An Lpmo. (pdb code 7pxr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Room Temperature Structure of An Lpmo., PDB code: 7pxr:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in 7pxr

Go back to Chlorine Binding Sites List in 7pxr
Chlorine binding site 1 out of 13 in the Room Temperature Structure of An Lpmo.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Room Temperature Structure of An Lpmo. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:27.1
occ:0.80
 CU A:CU301 2.8 18.8 1.0
O A:HOH534 2.9 50.8 1.0
O A:HOH484 3.1 22.4 1.0
ND1 A:HIC1 3.3 18.1 1.0
NE2 A:HIS78 3.4 19.9 1.0
CE1 A:HIS78 3.4 21.5 1.0
O A:HOH506 3.6 15.5 1.0
N A:HIC1 3.6 15.2 1.0
CG A:HIC1 3.7 18.0 1.0
CB A:HIC1 3.8 16.3 1.0
CB A:ALA75 4.1 23.0 1.0
CE1 A:HIC1 4.1 18.3 1.0
CA A:HIC1 4.3 15.2 1.0
ND1 A:HIS78 4.6 20.6 1.0
O A:HOH513 4.6 42.4 1.0
CD2 A:HIS78 4.6 19.5 1.0
CD2 A:HIC1 4.7 19.4 1.0
NE2 A:HIS66 4.8 25.3 1.0
NE2 A:HIC1 4.9 20.3 1.0

Chlorine binding site 2 out of 13 in 7pxr

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Chlorine binding site 2 out of 13 in the Room Temperature Structure of An Lpmo.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Room Temperature Structure of An Lpmo. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:28.3
occ:0.90
 O A:HOH476 2.9 36.6 1.0
N A:LYS32 3.1 14.8 1.0
N A:ASN33 3.3 16.9 1.0
CB A:ASN33 3.7 16.5 1.0
CA A:LYS32 3.9 15.5 1.0
C A:VAL31 4.0 14.1 1.0
CA A:VAL31 4.0 13.4 1.0
C A:LYS32 4.1 14.4 1.0
CG1 A:VAL31 4.1 15.2 1.0
CA A:ASN33 4.2 16.7 1.0
CB A:LYS32 4.2 17.4 1.0
CB A:VAL31 4.6 15.5 1.0
OH A:TYR153 4.6 21.1 1.0
O A:PRO30 4.7 14.6 1.0
CZ A:TYR153 4.9 20.2 1.0
O A:HOH499 4.9 29.9 1.0
CG A:LYS32 4.9 19.4 1.0

Chlorine binding site 3 out of 13 in 7pxr

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Chlorine binding site 3 out of 13 in the Room Temperature Structure of An Lpmo.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Room Temperature Structure of An Lpmo. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:74.9
occ:1.00
 O A:HOH469 3.4 52.2 1.0
CA A:GLY189 3.7 21.5 1.0
N A:GLY189 3.9 19.1 1.0
CB A:THR35 3.9 29.5 1.0
CA A:THR35 3.9 23.1 1.0
CG2 A:THR35 4.0 33.0 1.0
CB A:PRO188 4.1 20.1 1.0
C A:PRO188 4.2 21.3 1.0
O A:PRO188 4.5 22.0 1.0
O A:LEU34 4.6 24.5 1.0
O A:THR35 4.6 23.2 1.0
C A:THR35 4.7 21.5 1.0
CG A:PRO188 4.7 20.8 1.0
CA A:PRO188 4.8 20.2 1.0
C A:GLY189 5.0 21.9 1.0
N A:THR35 5.0 20.1 1.0
O A:HOH424 5.0 20.0 1.0

Chlorine binding site 4 out of 13 in 7pxr

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Chlorine binding site 4 out of 13 in the Room Temperature Structure of An Lpmo.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Room Temperature Structure of An Lpmo. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:34.5
occ:1.00
 O A:HOH511 3.0 15.0 1.0
OG A:SER225 3.1 23.4 1.0
CA A:GLY224 3.5 19.0 1.0
C A:GLY224 3.6 19.8 1.0
N A:SER225 3.6 16.5 1.0
CB A:SER225 3.8 20.4 1.0
CB A:SER126 4.0 15.6 1.0
N A:GLY224 4.1 21.7 1.0
O A:GLY224 4.2 19.9 1.0
CA A:SER225 4.3 17.0 1.0
CG2 A:VAL128 4.4 18.9 1.0
O A:SER126 4.5 13.5 1.0
CG2 A:THR59 4.5 14.2 1.0
C A:SER126 4.6 13.8 1.0
OG A:SER126 4.8 14.7 1.0
CA A:SER126 4.9 13.1 1.0
C A:GLY223 5.0 23.3 1.0
N A:VAL127 5.0 13.7 1.0

Chlorine binding site 5 out of 13 in 7pxr

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Chlorine binding site 5 out of 13 in the Room Temperature Structure of An Lpmo.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Room Temperature Structure of An Lpmo. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:32.6
occ:0.80
 N A:GLN228 3.2 18.7 1.0
O A:HOH502 3.7 35.9 1.0
CA A:ALA227 3.7 19.1 1.0
CA A:ALA121 3.8 18.1 1.0
CB A:GLN228 3.9 21.1 1.0
C A:ALA227 3.9 19.0 1.0
CB A:ALA121 4.0 18.6 1.0
CA A:GLN228 4.1 18.9 1.0
CB A:ALA227 4.3 20.5 1.0
O A:THR120 4.3 23.3 1.0
N A:ALA121 4.4 19.1 1.0
C A:THR120 4.6 21.8 1.0
N A:ALA227 4.8 16.9 1.0
O A:GLN228 4.9 22.5 1.0
C A:ALA121 4.9 18.3 1.0
O A:ILE226 5.0 19.5 1.0

Chlorine binding site 6 out of 13 in 7pxr

Go back to Chlorine Binding Sites List in 7pxr
Chlorine binding site 6 out of 13 in the Room Temperature Structure of An Lpmo.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Room Temperature Structure of An Lpmo. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:21.1
occ:0.80
 OD1 A:ASN27 3.2 24.6 1.0
ND2 A:ASN29 3.6 22.8 1.0
CG A:ASN27 4.2 20.1 1.0
ND2 A:ASN27 4.5 14.5 1.0
CG A:ASN29 4.8 19.3 1.0
O A:HOH487 4.8 22.6 1.0

Chlorine binding site 7 out of 13 in 7pxr

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Chlorine binding site 7 out of 13 in the Room Temperature Structure of An Lpmo.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Room Temperature Structure of An Lpmo. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:33.3
occ:0.50
 N A:ASP231 2.9 23.2 1.0
O A:HOH414 3.0 60.0 1.0
O A:HOH441 3.4 36.1 1.0
CA A:GLY230 3.5 20.9 1.0
C A:GLY230 3.7 20.5 1.0
CB A:ASP231 3.9 27.0 1.0
CA A:ASP231 3.9 24.1 1.0
O A:ASP231 4.2 21.8 1.0
C A:ASP231 4.5 21.9 1.0
CZ3 A:TRP8 4.7 17.5 1.0
O A:VAL229 4.7 18.9 0.5
N A:GLY230 4.8 20.1 1.0
O A:VAL229 4.8 20.7 0.5
O A:HOH404 4.8 49.1 1.0
CD1 A:LEU234 4.8 45.1 1.0
CH2 A:TRP8 4.9 18.4 1.0
O A:GLY230 4.9 20.8 1.0

Chlorine binding site 8 out of 13 in 7pxr

Go back to Chlorine Binding Sites List in 7pxr
Chlorine binding site 8 out of 13 in the Room Temperature Structure of An Lpmo.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Room Temperature Structure of An Lpmo. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:36.3
occ:0.75
 O A:HOH519 3.1 39.2 1.0
N A:ASP176 3.3 22.8 1.0
ND1 A:HIS131 3.4 28.4 1.0
CE1 A:HIS131 3.4 28.3 1.0
CG A:ASP176 3.6 33.7 1.0
CB A:ASP176 3.7 27.6 1.0
OD1 A:ASP176 3.8 31.7 1.0
CA A:SER175 3.9 18.6 1.0
OD2 A:ASP176 3.9 35.0 1.0
C A:SER175 4.0 22.4 1.0
CB A:ALA56 4.0 16.1 1.0
CA A:ASP176 4.1 26.1 1.0
NE2 A:HIS131 4.5 30.0 1.0
CG A:HIS131 4.6 23.6 1.0
N A:SER175 4.7 17.8 1.0
OG A:SER175 4.7 17.1 1.0
O A:HOH402 4.8 50.0 1.0
O A:ALA56 4.8 15.4 1.0
O A:SER174 4.9 20.2 1.0
CB A:SER175 4.9 18.5 1.0

Chlorine binding site 9 out of 13 in 7pxr

Go back to Chlorine Binding Sites List in 7pxr
Chlorine binding site 9 out of 13 in the Room Temperature Structure of An Lpmo.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Room Temperature Structure of An Lpmo. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:42.4
occ:1.00
 O A:HOH543 3.0 51.9 1.0
N A:SER51 3.3 16.0 0.5
N A:SER51 3.3 17.5 0.5
CA A:LYS50 3.7 18.2 1.0
O A:SER51 3.8 14.9 0.5
O A:HOH406 3.8 39.5 1.0
O A:SER51 3.8 13.3 0.5
C A:LYS50 4.0 17.0 1.0
CB A:LYS50 4.2 21.9 1.0
CA A:SER51 4.2 17.5 0.5
CA A:SER51 4.2 15.3 0.5
O A:PRO49 4.3 18.4 1.0
CB A:SER51 4.3 19.6 0.5
CB A:SER51 4.3 15.2 0.5
CG A:LYS50 4.4 31.7 1.0
C A:SER51 4.4 16.9 0.5
C A:SER51 4.5 17.8 0.5
N A:LYS50 4.8 14.6 1.0
CE A:LYS50 4.9 47.9 1.0
C A:PRO49 5.0 21.1 1.0

Chlorine binding site 10 out of 13 in 7pxr

Go back to Chlorine Binding Sites List in 7pxr
Chlorine binding site 10 out of 13 in the Room Temperature Structure of An Lpmo.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Room Temperature Structure of An Lpmo. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl312

b:50.6
occ:1.00
 N A:SER219 3.3 24.5 1.0
OG A:SER219 3.4 34.2 1.0
CD1 A:TRP218 3.7 25.9 1.0
CB A:SER219 3.8 31.4 1.0
CA A:TRP218 3.9 22.7 1.0
C A:TRP218 4.0 23.4 1.0
CA A:SER219 4.2 28.2 1.0
O A:VAL217 4.5 23.7 1.0
CG A:TRP218 4.5 24.1 1.0
NE1 A:TRP218 4.6 27.4 1.0
CB A:TRP218 4.6 24.1 1.0
N A:TRP218 4.9 22.7 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 02:47:18 2024

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