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Chlorine in PDB 5g5g: Escherichia Coli Periplasmic Aldehyde Oxidase

Protein crystallography data

The structure of Escherichia Coli Periplasmic Aldehyde Oxidase, PDB code: 5g5g was solved by M.A.S.Correia, A.R.Otrelo-Cardoso, M.J.Romao, T.Santos-Silva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.32 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 109.681, 78.342, 151.909, 90.00, 99.69, 90.00
R / Rfree (%) 13.8 / 16.7

Other elements in 5g5g:

The structure of Escherichia Coli Periplasmic Aldehyde Oxidase also contains other interesting chemical elements:

Molybdenum (Mo) 1 atom
Iodine (I) 7 atoms
Iron (Fe) 8 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Escherichia Coli Periplasmic Aldehyde Oxidase (pdb code 5g5g). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Escherichia Coli Periplasmic Aldehyde Oxidase, PDB code: 5g5g:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 5g5g

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Chlorine binding site 1 out of 12 in the Escherichia Coli Periplasmic Aldehyde Oxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Escherichia Coli Periplasmic Aldehyde Oxidase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1228

b:29.6
occ:1.00
O A:GLY113 2.7 22.3 1.0
O A:HOH2090 3.3 28.6 1.0
C A:GLY113 3.8 20.2 1.0
CA A:ALA171 3.9 15.2 1.0
CD1 A:LEU110 3.9 19.3 1.0
CB A:ALA171 4.1 14.4 1.0
CA A:GLY113 4.2 20.9 1.0
CB A:LYS174 4.2 22.6 1.0
CG A:LYS174 4.2 26.9 1.0
N A:ALA171 4.4 15.1 1.0
O A:VAL170 4.6 16.1 1.0
CD2 A:LEU110 4.7 17.2 1.0
C A:VAL170 4.8 16.4 1.0
CG A:LEU110 4.8 17.4 1.0
CG1 A:VAL170 4.9 20.9 1.0
O A:ALA171 5.0 16.1 1.0
C A:ALA171 5.0 15.5 1.0
N A:ARG114 5.0 18.2 1.0

Chlorine binding site 2 out of 12 in 5g5g

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Chlorine binding site 2 out of 12 in the Escherichia Coli Periplasmic Aldehyde Oxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Escherichia Coli Periplasmic Aldehyde Oxidase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1229

b:27.0
occ:1.00
OE1 A:GLN103 2.3 18.0 1.0
O2 A:GOL1232 2.8 26.4 1.0
CD A:GLN103 3.1 16.1 1.0
CB C:ASP655 3.4 18.4 1.0
NE2 A:GLN103 3.4 17.9 1.0
CG C:ARG272 3.5 12.2 1.0
O A:CYS99 3.7 12.7 1.0
CB C:ARG272 3.7 12.2 1.0
N C:MET656 3.9 16.8 0.5
CB A:CYS99 4.0 11.2 1.0
N C:MET656 4.0 17.5 0.5
CD C:PRO273 4.0 13.5 1.0
CD2 A:HIS101 4.0 13.3 1.0
CB A:HIS101 4.0 11.6 1.0
CG C:PRO273 4.1 14.6 1.0
CG C:ASP655 4.2 21.5 1.0
CG A:HIS101 4.2 12.5 1.0
C2 A:GOL1232 4.3 31.9 1.0
CA C:ASP655 4.3 17.1 1.0
N C:PRO273 4.3 12.9 1.0
CG A:GLN103 4.4 13.7 1.0
C A:CYS99 4.5 11.8 1.0
CA A:CYS99 4.5 11.3 1.0
CB C:MET656 4.5 16.6 0.5
C C:ARG272 4.6 12.2 1.0
C C:ASP655 4.7 17.1 1.0
OD2 C:ASP655 4.7 24.9 1.0
O1 A:GOL1232 4.7 40.3 1.0
OD1 C:ASP655 4.8 20.2 1.0
CA C:ARG272 4.8 12.0 1.0
CB C:MET656 4.8 18.9 0.5
SG A:CYS99 4.8 11.2 1.0
CA C:PRO273 4.8 12.9 1.0
CA C:MET656 4.9 16.7 0.5
CB C:PRO273 4.9 14.0 1.0
C3 A:GOL1232 4.9 32.2 1.0
CD C:ARG272 4.9 12.4 1.0
CA C:MET656 4.9 17.9 0.5
CB A:GLN103 5.0 12.6 1.0

Chlorine binding site 3 out of 12 in 5g5g

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Chlorine binding site 3 out of 12 in the Escherichia Coli Periplasmic Aldehyde Oxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Escherichia Coli Periplasmic Aldehyde Oxidase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1230

b:43.4
occ:1.00
N A:PRO56 3.7 23.3 1.0
C A:THR55 3.8 24.7 1.0
CD A:PRO56 3.9 23.2 1.0
CA A:PRO56 3.9 23.2 1.0
CB A:ALA54 4.0 32.9 1.0
O A:HOH2005 4.1 34.9 1.0
O A:THR55 4.2 24.7 1.0
N A:THR55 4.2 26.7 1.0
CA A:THR55 4.3 25.0 1.0
C A:ALA54 4.3 30.3 1.0
CB A:PRO56 4.3 23.3 1.0
CG A:PRO56 4.5 22.5 1.0
O A:ALA54 4.6 30.6 1.0
CA A:ALA54 4.8 32.8 1.0
O A:HOH2009 4.9 35.9 1.0

Chlorine binding site 4 out of 12 in 5g5g

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Chlorine binding site 4 out of 12 in the Escherichia Coli Periplasmic Aldehyde Oxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Escherichia Coli Periplasmic Aldehyde Oxidase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1318

b:25.0
occ:1.00
O B:HOH2080 2.7 34.8 1.0
O C:HOH2533 2.9 37.4 1.0
O C:HOH2058 3.0 28.6 1.0
O B:HOH2103 3.8 26.8 1.0
CB C:ASN653 3.9 14.9 1.0
CE2 B:PHE144 3.9 24.2 1.0
CG B:PRO120 4.0 16.7 1.0
CD B:PRO120 4.1 16.4 1.0
CB B:PRO120 4.2 16.3 1.0
CA C:GLY658 4.2 16.4 1.0
O2 B:GOL1323 4.2 42.3 1.0
O B:HOH2248 4.3 35.8 1.0
CG B:GLN147 4.5 24.1 1.0
O C:GLY658 4.5 16.6 1.0
CD2 B:PHE144 4.6 23.5 1.0
CA C:ASN653 4.6 14.8 1.0
C2 B:GOL1323 4.6 37.6 1.0
C C:GLY658 4.8 15.4 1.0
CZ B:PHE144 4.9 23.1 1.0
C1 B:GOL1323 4.9 40.6 1.0

Chlorine binding site 5 out of 12 in 5g5g

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Chlorine binding site 5 out of 12 in the Escherichia Coli Periplasmic Aldehyde Oxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Escherichia Coli Periplasmic Aldehyde Oxidase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1319

b:39.1
occ:1.00
O B:LYS199 3.4 31.0 1.0
N B:GLY135 3.7 31.1 1.0
CG B:ASN130 3.7 23.3 1.0
OD1 B:ASN130 3.8 24.6 1.0
O B:HOH2112 3.9 35.5 1.0
CB B:ASN130 4.0 22.1 1.0
CB B:ALA156 4.1 26.0 1.0
ND2 B:ASN130 4.1 23.8 1.0
C B:LYS199 4.2 30.0 1.0
CD B:PRO201 4.2 24.5 1.0
CA B:GLY135 4.3 31.1 1.0
C B:PRO134 4.6 32.0 1.0
CA B:LYS199 4.6 31.3 1.0
CA B:PRO134 4.6 31.1 1.0
CG B:PRO201 4.7 23.4 1.0

Chlorine binding site 6 out of 12 in 5g5g

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Chlorine binding site 6 out of 12 in the Escherichia Coli Periplasmic Aldehyde Oxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Escherichia Coli Periplasmic Aldehyde Oxidase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1320

b:37.7
occ:1.00
O B:HOH2219 3.4 37.6 1.0
NH1 B:ARG170 3.5 24.2 1.0
N B:GLU269 3.5 28.0 1.0
NH2 B:ARG170 3.5 25.0 1.0
O B:HOH2155 3.6 37.2 1.0
O B:HOH2090 3.6 39.2 1.0
CB B:GLU269 3.7 34.4 1.0
CA B:GLU269 3.9 30.8 1.0
CZ B:ARG170 4.0 23.4 1.0
CG B:ARG267 4.2 20.2 1.0
CZ B:ARG267 4.2 20.9 1.0
NE B:ARG267 4.3 20.6 1.0
C B:ILE268 4.3 26.3 1.0
O B:ARG267 4.4 22.2 1.0
NH2 B:ARG267 4.5 21.7 1.0
NH1 B:ARG267 4.6 20.1 1.0
CD B:ARG267 4.6 19.9 1.0
CA B:ILE268 4.6 25.3 1.0
C B:ARG267 4.7 21.9 1.0
N B:ILE268 4.9 23.5 1.0
OE1 B:GLU269 4.9 46.3 1.0

Chlorine binding site 7 out of 12 in 5g5g

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Chlorine binding site 7 out of 12 in the Escherichia Coli Periplasmic Aldehyde Oxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Escherichia Coli Periplasmic Aldehyde Oxidase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl4000

b:30.0
occ:1.00
O B:HOH2241 3.3 36.7 1.0
CB B:ALA308 3.9 23.3 1.0
CE B:LYS304 4.1 26.6 1.0
CG B:LYS304 4.2 24.3 1.0
CG B:ARG305 4.3 22.7 1.0
CB C:VAL731 4.4 50.0 1.0
O B:LYS304 4.4 20.1 1.0
CA B:ARG305 4.5 20.5 1.0
C C:VAL731 4.5 50.3 1.0
CD B:LYS304 4.6 26.1 1.0
CG2 C:VAL731 4.6 48.5 1.0
N C:VAL731 4.7 49.4 1.0
C B:LYS304 4.7 20.2 1.0
N B:ARG305 4.7 19.9 1.0
CA C:VAL731 4.8 50.1 1.0
CB B:ARG305 5.0 21.1 1.0

Chlorine binding site 8 out of 12 in 5g5g

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Chlorine binding site 8 out of 12 in the Escherichia Coli Periplasmic Aldehyde Oxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Escherichia Coli Periplasmic Aldehyde Oxidase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1735

b:24.9
occ:1.00
O C:HOH2016 3.0 45.2 1.0
NH2 C:ARG527 3.5 22.1 1.0
O C:HOH2019 3.6 17.4 1.0
NH1 C:ARG527 3.7 21.1 1.0
N C:PHE543 3.8 25.8 1.0
CA C:GLN542 3.8 32.8 1.0
NE2 C:GLN14 3.9 20.8 1.0
CB C:GLN542 4.0 36.4 1.0
CZ C:ARG527 4.0 21.2 1.0
CG C:GLN542 4.0 41.8 1.0
OE1 C:GLN14 4.3 22.4 1.0
CG C:PRO11 4.3 19.2 1.0
CD C:GLN14 4.3 20.8 1.0
C C:GLN542 4.4 29.9 1.0
CB C:PRO11 4.4 18.5 1.0
O C:SER541 4.5 34.2 1.0
O C:PHE543 4.6 24.7 1.0
CA C:PHE543 4.8 24.8 1.0
CA C:PRO11 4.9 18.3 1.0
O C:HOH2013 4.9 38.0 1.0
CD1 C:PHE543 4.9 23.3 1.0
N C:GLN542 5.0 34.0 1.0
CD C:GLN542 5.0 47.3 1.0
CB C:PHE543 5.0 23.5 1.0

Chlorine binding site 9 out of 12 in 5g5g

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Chlorine binding site 9 out of 12 in the Escherichia Coli Periplasmic Aldehyde Oxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Escherichia Coli Periplasmic Aldehyde Oxidase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1736

b:37.8
occ:1.00
O C:HOH2025 3.6 38.8 1.0
CD C:PRO21 4.0 15.4 1.0
CE1 C:HIS22 4.0 19.4 1.0
ND1 C:HIS22 4.1 17.6 1.0
N C:PRO21 4.1 14.8 1.0
C C:PRO21 4.1 14.9 1.0
NE2 C:HIS22 4.2 18.0 1.0
CG C:PRO21 4.2 15.0 1.0
CB C:ARG20 4.2 16.7 1.0
O C:PRO21 4.2 15.2 1.0
N C:HIS22 4.3 14.4 1.0
CG C:HIS22 4.4 16.4 1.0
CD2 C:HIS22 4.4 17.2 1.0
CA C:HIS22 4.5 14.7 1.0
C C:ARG20 4.6 14.7 1.0
CA C:PRO21 4.7 14.4 1.0
CA C:ARG20 4.9 15.0 1.0

Chlorine binding site 10 out of 12 in 5g5g

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Chlorine binding site 10 out of 12 in the Escherichia Coli Periplasmic Aldehyde Oxidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Escherichia Coli Periplasmic Aldehyde Oxidase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1737

b:36.9
occ:1.00
O C:HOH2077 3.3 35.0 1.0
O3 A:GOL1233 3.3 42.6 1.0
CA C:LYS620 3.9 12.7 0.1
CA C:LYS620 3.9 13.0 0.9
CB C:LYS620 4.1 13.5 0.9
N C:LYS620 4.1 12.6 1.0
CB C:LYS620 4.1 12.9 0.1
CB C:PRO21 4.2 15.1 1.0
O C:PRO619 4.3 12.0 1.0
C C:PRO619 4.3 12.9 1.0
CG C:LYS620 4.4 14.3 0.9
O2 A:GOL1233 4.4 46.6 1.0
C3 A:GOL1233 4.5 40.0 1.0
CG C:LYS620 4.7 12.9 0.1
CD C:LYS620 4.7 15.5 0.9
CB C:PRO619 4.8 13.6 1.0
CG C:PRO21 5.0 15.0 1.0
C2 A:GOL1233 5.0 41.0 1.0

Reference:

M.A.Correia, A.R.Otrelo-Cardoso, V.Schwuchow, K.G.Sigfridsson Clauss, M.Haumann, M.J.Romao, S.Leimkuhler, T.Santos-Silva. The Escherichia Coli Periplasmic Aldehyde Oxidoreductase Is An Exceptional Member of the Xanthine Oxidase Family of Molybdoenzymes. Acs Chem.Biol. V. 11 2923 2016.
ISSN: ISSN 1554-8929
PubMed: 27622978
DOI: 10.1021/ACSCHEMBIO.6B00572
Page generated: Sat Dec 12 11:46:33 2020

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