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Chlorine in PDB 5utt: Srta Sortase From Actinomyces Oris

Protein crystallography data

The structure of Srta Sortase From Actinomyces Oris, PDB code: 5utt was solved by J.Osipiuk, X.Ma, H.Ton-That, W.F.Anderson, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.54 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 62.183, 75.085, 77.652, 90.00, 89.96, 90.00
R / Rfree (%) 16 / 20.5

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Srta Sortase From Actinomyces Oris (pdb code 5utt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Srta Sortase From Actinomyces Oris, PDB code: 5utt:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 5utt

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Chlorine binding site 1 out of 12 in the Srta Sortase From Actinomyces Oris


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Srta Sortase From Actinomyces Oris within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:24.6
occ:1.00
 O A:HOH692 2.8 17.6 1.0
N A:ALA221 3.2 17.9 1.0
N A:THR220 3.3 17.8 1.0
O B:HOH704 3.5 34.3 1.0
CA A:GLY218 3.5 14.2 1.0
O B:HOH736 3.6 46.0 1.0
N A:SER219 3.7 16.7 1.0
C A:GLY218 3.8 15.1 1.0
CB A:ALA221 3.8 17.5 1.0
CA A:THR220 3.9 18.6 1.0
CB A:THR220 3.9 19.6 1.0
OD1 A:ASP227 3.9 18.5 1.0
C A:THR220 4.0 18.5 1.0
CA A:ALA221 4.0 17.3 1.0
OG A:SER219 4.1 19.8 1.0
CA A:GLY225 4.2 16.0 1.0
CG A:ASP227 4.3 18.9 1.0
C A:SER219 4.4 18.1 1.0
CA A:SER219 4.5 17.8 1.0
O A:GLY218 4.5 15.9 1.0
OD2 A:ASP227 4.6 21.7 1.0
OG1 A:THR220 4.7 21.0 1.0
N A:ASN226 4.8 16.7 1.0
N A:GLY218 4.9 13.3 1.0
C A:ALA221 4.9 16.0 1.0
N A:GLY222 4.9 15.0 1.0
CB A:SER219 5.0 18.3 1.0
C A:GLY225 5.0 15.8 1.0

Chlorine binding site 2 out of 12 in 5utt

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Chlorine binding site 2 out of 12 in the Srta Sortase From Actinomyces Oris


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Srta Sortase From Actinomyces Oris within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:15.5
occ:1.00
 O B:HOH648 3.0 16.6 1.0
OG1 A:THR118 3.1 13.3 1.0
N B:ASP253 3.2 17.4 1.0
O A:HOH665 3.4 20.0 1.0
N A:THR132 3.5 13.7 1.0
CA A:TYR131 3.7 11.8 1.0
CB B:ASN252 3.8 22.1 1.0
CB B:ASP253 3.8 17.4 1.0
CA B:ASN252 3.9 19.7 1.0
OG1 A:THR132 3.9 16.3 1.0
CG2 A:THR118 3.9 12.7 1.0
C B:ASN252 4.0 18.6 1.0
CB A:THR118 4.1 13.1 1.0
CD2 A:TYR131 4.1 11.9 1.0
C A:TYR131 4.1 12.9 1.0
CA B:ASP253 4.1 16.9 1.0
CB A:TYR131 4.3 11.7 1.0
O B:HOH632 4.3 21.2 1.0
CG2 A:THR132 4.4 15.6 1.0
CG A:TYR131 4.5 11.6 1.0
N A:THR118 4.5 12.5 1.0
CB A:THR132 4.5 15.2 1.0
CA A:THR132 4.6 14.8 1.0
O A:HIS130 4.6 10.4 1.0
O B:ASP253 4.6 17.1 1.0
N A:TYR131 4.8 10.9 1.0
NH2 B:ARG246 4.9 21.0 1.0
NH1 B:ARG246 4.9 21.7 1.0
CA A:THR118 4.9 13.1 1.0
C B:ASP253 4.9 16.1 1.0
CE2 A:TYR131 4.9 12.0 1.0
CG B:ASN252 5.0 24.6 1.0

Chlorine binding site 3 out of 12 in 5utt

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Chlorine binding site 3 out of 12 in the Srta Sortase From Actinomyces Oris


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Srta Sortase From Actinomyces Oris within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:22.8
occ:1.00
 N A:ARG209 3.2 16.6 1.0
O A:HOH608 3.2 21.4 1.0
CB A:ARG209 3.7 16.5 1.0
CG A:ARG209 3.7 18.4 1.0
NH1 A:ARG209 3.7 23.3 1.0
CA A:ASP208 3.8 20.1 1.0
CB A:PHE236 3.9 13.8 1.0
CD A:ARG209 3.9 19.2 1.0
C A:ASP208 3.9 18.2 1.0
CA A:ARG209 4.0 16.0 1.0
OD1 A:ASP208 4.0 26.8 1.0
CD2 A:PHE236 4.1 14.2 1.0
CB A:ASP208 4.1 21.8 1.0
O A:ARG209 4.4 13.5 1.0
CG A:PHE236 4.4 13.8 1.0
CG A:ASP208 4.5 24.8 1.0
O A:PHE236 4.6 15.0 1.0
C A:ARG209 4.7 14.6 1.0
CZ A:ARG209 4.7 22.2 1.0
NE A:ARG209 4.8 21.3 1.0
CA A:PHE236 4.8 13.7 1.0
O A:THR207 4.9 18.6 1.0
N A:PHE236 4.9 13.4 1.0

Chlorine binding site 4 out of 12 in 5utt

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Chlorine binding site 4 out of 12 in the Srta Sortase From Actinomyces Oris


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Srta Sortase From Actinomyces Oris within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:23.2
occ:1.00
 O B:HOH675 2.8 23.5 1.0
N B:ALA221 3.2 18.0 1.0
N B:THR220 3.4 16.4 1.0
CA B:GLY218 3.6 12.7 1.0
CB B:ALA221 3.7 18.9 1.0
C B:GLY218 3.9 13.2 1.0
N B:SER219 3.9 13.6 1.0
CB B:THR220 4.0 19.0 1.0
CA B:THR220 4.0 17.6 1.0
CA B:ALA221 4.0 18.1 1.0
C B:THR220 4.1 17.8 1.0
OD1 B:ASP227 4.1 18.1 1.0
CA B:GLY225 4.2 15.7 1.0
OG B:SER219 4.5 16.4 1.0
C B:SER219 4.5 15.8 1.0
O B:GLY218 4.6 13.6 1.0
CG B:ASP227 4.6 17.9 1.0
CA B:SER219 4.7 15.1 1.0
OG1 B:THR220 4.7 20.3 1.0
N B:ASN226 4.7 15.6 1.0
C B:ALA221 4.8 17.7 1.0
N B:GLY222 4.8 17.1 1.0
OD2 B:ASP227 4.9 21.4 1.0
N B:GLY218 4.9 12.2 1.0
C B:GLY225 4.9 15.4 1.0

Chlorine binding site 5 out of 12 in 5utt

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Chlorine binding site 5 out of 12 in the Srta Sortase From Actinomyces Oris


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Srta Sortase From Actinomyces Oris within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:16.5
occ:1.00
 O B:HOH668 2.8 20.6 1.0
OG1 B:THR118 3.2 13.9 1.0
N B:THR132 3.3 13.6 1.0
CA B:TYR131 3.7 12.3 1.0
OG1 B:THR132 3.8 16.5 1.0
CG2 B:THR118 3.9 13.2 1.0
C B:TYR131 4.0 13.0 1.0
CD2 B:TYR131 4.1 13.1 1.0
CB B:THR118 4.1 13.4 1.0
CB B:TYR131 4.3 12.5 1.0
CG2 B:THR132 4.3 15.6 1.0
CB B:THR132 4.4 15.4 1.0
CA B:THR132 4.4 15.0 1.0
CG B:TYR131 4.5 12.6 1.0
N B:THR118 4.5 13.0 1.0
O B:HIS130 4.6 11.4 1.0
N B:TYR131 4.8 11.7 1.0
CA B:THR118 5.0 13.3 1.0

Chlorine binding site 6 out of 12 in 5utt

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Chlorine binding site 6 out of 12 in the Srta Sortase From Actinomyces Oris


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Srta Sortase From Actinomyces Oris within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:26.0
occ:1.00
 NH1 B:ARG209 2.8 21.2 1.0
N B:ARG209 3.2 16.5 1.0
O B:HOH642 3.2 33.3 1.0
CD B:ARG209 3.7 18.4 1.0
CG B:ARG209 3.7 17.6 1.0
CA B:ASP208 3.7 20.1 1.0
CB B:ARG209 3.8 16.7 1.0
CZ B:ARG209 3.9 19.8 1.0
C B:ASP208 3.9 18.0 1.0
CB B:PHE236 3.9 15.2 1.0
CA B:ARG209 4.1 16.0 1.0
CD2 B:PHE236 4.1 17.4 1.0
CB B:ASP208 4.1 22.2 1.0
NE B:ARG209 4.2 19.4 1.0
OD1 B:ASP208 4.4 27.5 1.0
CG B:PHE236 4.4 16.4 1.0
O B:ARG209 4.5 14.8 1.0
O B:PHE236 4.6 13.8 1.0
CG B:ASP208 4.6 24.5 1.0
O B:THR207 4.7 23.7 1.0
C B:ARG209 4.8 15.1 1.0
CE B:LYS235 4.8 21.4 1.0
CA B:PHE236 5.0 14.3 1.0
N B:ASP208 5.0 21.2 1.0

Chlorine binding site 7 out of 12 in 5utt

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Chlorine binding site 7 out of 12 in the Srta Sortase From Actinomyces Oris


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Srta Sortase From Actinomyces Oris within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl501

b:20.1
occ:1.00
 O C:HOH663 3.1 18.5 1.0
N C:ALA221 3.1 15.6 1.0
N C:THR220 3.3 15.6 1.0
CA C:GLY218 3.6 11.8 1.0
CB C:ALA221 3.7 15.1 1.0
N C:SER219 3.7 13.4 1.0
CB C:THR220 3.7 18.2 1.0
CA C:THR220 3.8 16.8 1.0
C C:GLY218 3.8 12.5 1.0
C C:THR220 3.9 16.4 1.0
CA C:ALA221 4.0 15.4 1.0
OD1 C:ASP227 4.0 17.4 1.0
CA C:GLY225 4.2 15.8 1.0
OG C:SER219 4.3 14.9 1.0
C C:SER219 4.4 15.2 1.0
CG C:ASP227 4.5 17.6 1.0
CA C:SER219 4.5 14.4 1.0
O C:GLY218 4.5 12.9 1.0
OG1 C:THR220 4.6 19.6 1.0
OD2 C:ASP227 4.7 19.7 1.0
CG2 C:THR220 4.7 19.5 1.0
C C:ALA221 4.8 14.9 1.0
N C:GLY222 4.8 14.5 1.0
N C:GLY218 4.8 11.3 1.0
N C:ASN226 4.9 16.3 1.0
C C:GLY225 5.0 16.0 1.0

Chlorine binding site 8 out of 12 in 5utt

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Chlorine binding site 8 out of 12 in the Srta Sortase From Actinomyces Oris


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Srta Sortase From Actinomyces Oris within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:18.8
occ:1.00
 OG1 C:THR118 3.1 14.4 1.0
O C:HOH658 3.2 21.2 1.0
N D:ASP253 3.2 17.3 1.0
O D:HOH642 3.3 13.9 1.0
N C:THR132 3.5 15.3 1.0
CB D:ASN252 3.6 21.7 1.0
CA C:TYR131 3.8 13.6 1.0
CB D:ASP253 3.8 17.4 1.0
OG1 C:THR132 3.8 18.7 1.0
CG2 C:THR118 3.9 13.6 1.0
CA D:ASN252 4.0 20.1 1.0
CD2 C:TYR131 4.0 13.9 1.0
C D:ASN252 4.1 18.7 1.0
CB C:THR118 4.1 13.8 1.0
CA D:ASP253 4.1 16.8 1.0
C C:TYR131 4.1 14.5 1.0
CB C:TYR131 4.3 13.4 1.0
CG2 C:THR132 4.3 17.3 1.0
O D:HOH616 4.3 22.6 1.0
CB C:THR132 4.4 17.1 1.0
CG C:TYR131 4.5 13.1 1.0
O D:ASP253 4.5 16.5 1.0
CA C:THR132 4.5 16.3 1.0
N C:THR118 4.6 14.4 1.0
O C:HIS130 4.8 12.6 1.0
CG D:ASN252 4.8 23.1 1.0
C D:ASP253 4.9 16.7 1.0
NH1 D:ARG246 4.9 21.7 1.0
CE2 C:TYR131 4.9 13.9 1.0
N C:TYR131 4.9 12.7 1.0
CA C:THR118 5.0 14.2 1.0

Chlorine binding site 9 out of 12 in 5utt

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Chlorine binding site 9 out of 12 in the Srta Sortase From Actinomyces Oris


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Srta Sortase From Actinomyces Oris within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:30.0
occ:1.00
 O C:HOH662 3.1 34.2 1.0
N C:ARG209 3.1 20.4 1.0
NH1 C:ARG209 3.3 22.9 1.0
CG C:ARG209 3.6 21.0 1.0
O C:HOH684 3.7 33.4 1.0
CB C:ARG209 3.7 19.8 1.0
CA C:ASP208 3.8 25.5 1.0
C C:ASP208 3.9 22.7 1.0
CD C:ARG209 3.9 21.9 1.0
CB C:PHE236 4.0 16.6 1.0
CA C:ARG209 4.0 19.5 1.0
CB C:ASP208 4.1 26.7 1.0
CD2 C:PHE236 4.1 17.9 1.0
O C:ARG209 4.4 18.3 1.0
CZ C:ARG209 4.4 23.2 1.0
OD1 C:ASP208 4.4 31.9 1.0
CG C:PHE236 4.5 17.5 1.0
CG C:ASP208 4.5 29.9 1.0
NE C:ARG209 4.6 22.7 1.0
C C:ARG209 4.7 18.3 1.0
O C:PHE236 4.8 16.7 1.0
O C:THR207 4.8 29.2 1.0
O C:ASP208 5.0 21.1 1.0

Chlorine binding site 10 out of 12 in 5utt

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Chlorine binding site 10 out of 12 in the Srta Sortase From Actinomyces Oris


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Srta Sortase From Actinomyces Oris within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:26.1
occ:1.00
 O D:HOH682 2.7 20.7 1.0
N D:ALA221 3.2 19.1 1.0
N D:THR220 3.2 18.2 1.0
N D:SER219 3.5 15.8 1.0
CA D:GLY218 3.5 13.9 1.0
OD1 D:ASP227 3.7 17.9 1.0
C D:GLY218 3.7 14.6 1.0
CB D:THR220 3.8 20.5 1.0
CA D:THR220 3.8 19.3 1.0
CB D:ALA221 3.9 19.2 1.0
C D:THR220 4.0 18.9 1.0
CA D:ALA221 4.1 19.0 1.0
OG D:SER219 4.1 18.8 1.0
CG D:ASP227 4.2 18.1 1.0
C D:SER219 4.3 18.2 1.0
CA D:GLY225 4.4 16.6 1.0
CA D:SER219 4.4 17.6 1.0
OD2 D:ASP227 4.5 20.8 1.0
O D:GLY218 4.5 15.1 1.0
OG1 D:THR220 4.5 21.1 1.0
O D:HOH659 4.6 29.8 1.0
N D:GLY218 4.9 13.2 1.0
CB D:SER219 4.9 17.9 1.0
C D:ALA221 4.9 18.1 1.0
CG2 D:THR220 4.9 20.8 1.0
N D:ASN226 4.9 17.0 1.0
N D:GLY222 4.9 17.2 1.0

Reference:

C.Chang, C.Wu, J.Osipiuk, S.D.Siegel, S.Zhu, X.Liu, A.Joachimiak, R.T.Clubb, A.Das, H.Ton-That. Cell-to-Cell Interaction Requires Optimal Positioning of A Pilus Tip Adhesin Modulated By Gram-Positive Transpeptidase Enzymes. Proc.Natl.Acad.Sci.Usa V. 116 18041 2019.
ISSN: ESSN 1091-6490
PubMed: 31427528
DOI: 10.1073/PNAS.1907733116
Page generated: Fri Jul 26 18:17:28 2024

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