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Chlorine in PDB 8po9: Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella

Protein crystallography data

The structure of Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella, PDB code: 8po9 was solved by R.Illanes-Vicioso, E.Ruiz-Lopez, M.Sola, F.Bertocchini, E.A.Palomo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.26 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 93.75, 196.58, 224.12, 90, 90, 90
R / Rfree (%) 17.1 / 21.8

Other elements in 8po9:

The structure of Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella also contains other interesting chemical elements:

Copper (Cu) 6 atoms
Magnesium (Mg) 5 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 22;

Binding sites:

The binding sites of Chlorine atom in the Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella (pdb code 8po9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 22 binding sites of Chlorine where determined in the Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella, PDB code: 8po9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 22 in 8po9

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Chlorine binding site 1 out of 22 in the Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl903

b:85.4
occ:1.00
CG2 A:VAL78 4.6 51.3 1.0
CZ A:ARG113 4.8 55.1 1.0
NH1 A:ARG113 4.8 55.9 1.0
NE A:ARG113 4.8 54.8 1.0
CD A:ARG113 4.9 44.9 1.0
OH A:TYR117 4.9 56.9 1.0
ND2 A:ASN75 5.0 66.9 1.0

Chlorine binding site 2 out of 22 in 8po9

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Chlorine binding site 2 out of 22 in the Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl903

b:67.1
occ:1.00
N B:PHE675 3.3 38.4 1.0
CA B:TYR674 3.5 36.0 1.0
O B:HOH1198 3.7 43.4 1.0
C B:TYR674 3.9 36.4 1.0
O B:PHE675 4.0 37.5 1.0
CG B:TYR674 4.0 39.2 1.0
O B:MET673 4.1 38.0 1.0
CD2 B:TYR674 4.2 42.5 1.0
CB B:TYR674 4.3 38.0 1.0
CA B:PHE675 4.3 36.0 1.0
CD1 B:TYR674 4.4 38.7 1.0
N B:TYR674 4.5 35.6 1.0
CB B:PHE675 4.5 35.1 1.0
C B:PHE675 4.6 37.3 1.0
CD1 B:PHE675 4.6 35.1 1.0
CE2 B:TYR674 4.7 42.3 1.0
C B:MET673 4.7 35.8 1.0
CE1 B:TYR674 4.8 40.9 1.0
O B:HOH1129 4.9 41.5 1.0
CZ B:TYR674 5.0 44.9 1.0

Chlorine binding site 3 out of 22 in 8po9

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Chlorine binding site 3 out of 22 in the Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl904

b:78.5
occ:1.00
OG B:SER564 4.0 56.9 1.0
CB B:SER564 5.0 48.9 1.0

Chlorine binding site 4 out of 22 in 8po9

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Chlorine binding site 4 out of 22 in the Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl905

b:72.7
occ:1.00
NZ B:LYS347 3.4 58.8 1.0
NZ C:LYS347 3.5 59.3 1.0
NZ A:LYS347 3.9 56.4 1.0
CE B:LYS347 4.3 54.7 1.0
CE C:LYS347 4.3 52.3 1.0
CE A:LYS347 4.4 39.0 1.0
O A:HOH1267 4.9 61.4 1.0

Chlorine binding site 5 out of 22 in 8po9

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Chlorine binding site 5 out of 22 in the Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl906

b:79.3
occ:1.00
N B:VAL66 3.6 51.4 1.0
CB B:VAL66 3.9 45.3 1.0
CD2 B:LEU83 4.2 46.0 1.0
N B:GLU67 4.2 50.5 1.0
CG2 B:VAL66 4.3 46.2 1.0
CA B:VAL66 4.3 52.3 1.0
CE2 B:TYR86 4.3 44.2 1.0
CZ B:PHE130 4.5 34.2 1.0
C B:ASN65 4.5 46.6 1.0
CD2 B:TYR86 4.5 46.9 1.0
CA B:ASN65 4.6 49.7 1.0
ND2 B:ASN65 4.6 54.8 1.0
CG B:ASN65 4.7 55.2 1.0
CE1 B:PHE130 4.7 34.8 1.0
OD1 B:ASN65 4.7 53.4 1.0
C B:VAL66 4.8 50.8 1.0

Chlorine binding site 6 out of 22 in 8po9

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Chlorine binding site 6 out of 22 in the Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl903

b:71.1
occ:1.00
CE2 C:TRP388 3.7 55.5 1.0
NE1 C:TRP388 3.8 55.3 1.0
CZ2 C:TRP388 4.0 51.6 1.0
CD2 C:TRP388 4.1 58.5 1.0
CD1 C:TRP388 4.2 59.1 1.0
CG C:TRP388 4.4 58.8 1.0
O C:SER374 4.4 35.4 1.0
CH2 C:TRP388 4.6 54.9 1.0
CA C:ALA376 4.6 39.8 1.0
CE3 C:TRP388 4.6 62.8 1.0
N C:ALA376 4.7 40.4 1.0
CE2 C:TYR379 4.7 37.5 1.0
CD2 C:TYR379 4.7 41.3 1.0
CA C:TRP248 4.8 45.0 0.6
CA C:TRP248 4.8 45.0 0.4
C C:ASN375 4.8 38.8 1.0
CZ3 C:TRP388 4.8 65.1 1.0

Chlorine binding site 7 out of 22 in 8po9

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Chlorine binding site 7 out of 22 in the Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl904

b:68.2
occ:1.00
CZ C:PHE130 3.8 51.7 1.0
CE1 C:PHE130 3.8 47.0 1.0
CE2 C:TYR86 4.0 48.3 1.0
N C:VAL66 4.1 59.1 1.0
ND2 C:ASN65 4.3 63.8 1.0
CA C:ASN65 4.5 56.4 1.0
CZ C:TYR86 4.5 49.9 1.0
OH C:TYR86 4.5 58.5 1.0
O C:TYR64 4.6 55.8 1.0
CG C:ASN65 4.6 60.0 1.0
CD2 C:TYR86 4.6 49.2 1.0
CB C:VAL66 4.7 54.5 1.0
CG2 C:VAL66 4.7 49.3 1.0
C C:ASN65 4.8 57.1 1.0
CE2 C:PHE130 4.8 47.9 1.0
CD1 C:PHE130 4.9 48.0 1.0
OD1 C:ASN65 5.0 61.9 1.0
CA C:VAL66 5.0 58.4 1.0

Chlorine binding site 8 out of 22 in 8po9

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Chlorine binding site 8 out of 22 in the Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl905

b:73.0
occ:1.00
CZ C:PHE654 4.6 45.4 1.0
CE2 C:PHE654 4.6 44.4 1.0
CE1 C:PHE654 4.7 48.7 1.0
O C:TYR647 4.8 51.9 1.0
CD2 C:PHE654 4.8 42.3 1.0
CE1 C:PHE578 4.8 48.4 1.0
CE2 C:TYR268 4.8 43.0 1.0
CD1 C:PHE654 4.9 50.5 1.0
CD2 C:TYR268 4.9 44.8 1.0
CG C:PHE654 4.9 46.5 1.0

Chlorine binding site 9 out of 22 in 8po9

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Chlorine binding site 9 out of 22 in the Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl906

b:74.0
occ:1.00
CL C:CL907 3.7 70.2 1.0
CZ C:ARG181 4.0 50.4 1.0
NE C:ARG181 4.1 46.2 1.0
NH1 C:ARG181 4.2 50.4 1.0
NH2 C:ARG181 4.3 42.6 1.0
CD C:ARG181 4.5 43.8 1.0
CD1 C:ILE199 4.6 42.1 1.0
CD2 C:LEU188 4.6 55.1 1.0
CD1 C:ILE182 5.0 47.3 1.0

Chlorine binding site 10 out of 22 in 8po9

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Chlorine binding site 10 out of 22 in the Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Polyethylene Oxidation Hexamerin Pease Cibeles (XP_026756460) From Galleria Mellonella within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl907

b:70.2
occ:1.00
N C:ILE189 3.2 58.0 1.0
NE2 C:GLN185 3.4 47.1 1.0
CL C:CL906 3.7 74.0 1.0
CA C:LEU188 3.9 54.9 1.0
C C:LEU188 4.0 52.5 1.0
CB C:ILE189 4.0 56.5 1.0
CD2 C:LEU188 4.0 55.1 1.0
CA C:ILE189 4.1 56.2 1.0
N C:ILE190 4.1 58.3 1.0
CG1 C:ILE189 4.1 56.6 1.0
CB C:LEU188 4.2 55.4 1.0
OE1 C:GLN185 4.2 47.3 1.0
CD C:GLN185 4.2 47.8 1.0
O F:HOH1104 4.6 51.9 1.0
NH2 C:ARG181 4.6 42.6 1.0
C C:ILE189 4.6 57.8 1.0
CG C:LEU188 4.7 53.3 1.0
O C:ILE190 5.0 62.9 1.0

Reference:

M.Spinola-Amilibia, R.Illanes-Vicioso, E.Ruiz-L Formula See Text Pez, P.Colomer-Vidal, F.V.Rodriguez, R.Peces Perez, C.F.Arias, T.Torroba, M.Sol Formula See Text, E.Arias-Palomo, F.Bertocchini. Plastic Degradation By Insect Hexamerins: Near-Atomic Resolution Structures of the Polyethylene-Degrading Proteins From the Wax Worm Saliva. Sci Adv V. 9 I6813 2023.
ISSN: ESSN 2375-2548
PubMed: 37729416
DOI: 10.1126/SCIADV.ADI6813
Page generated: Thu Dec 28 03:24:20 2023

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