Chlorine in PDB 6h21: Tarp-Udp-Glcnac-Mn

Protein crystallography data

The structure of Tarp-Udp-Glcnac-Mn, PDB code: 6h21 was solved by Y.Guo, T.Stehle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.68 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 43.860, 95.360, 130.550, 90.00, 93.51, 90.00
R / Rfree (%) 17.6 / 21.1

Other elements in 6h21:

The structure of Tarp-Udp-Glcnac-Mn also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Manganese (Mn) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Tarp-Udp-Glcnac-Mn (pdb code 6h21). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Tarp-Udp-Glcnac-Mn, PDB code: 6h21:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 6h21

Go back to Chlorine Binding Sites List in 6h21
Chlorine binding site 1 out of 10 in the Tarp-Udp-Glcnac-Mn


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tarp-Udp-Glcnac-Mn within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:50.3
occ:1.00
 OH A:TYR226 2.9 38.4 1.0
NE2 A:GLN182 3.1 43.7 1.0
N A:GLN265 3.5 40.8 1.0
NH2 A:ARG259 3.5 41.5 1.0
CE1 A:TYR226 3.6 39.2 1.0
CA A:GLY264 3.7 39.5 1.0
CZ A:TYR226 3.7 38.8 1.0
NH1 A:ARG259 3.9 44.0 1.0
C A:GLY264 4.0 40.1 1.0
CZ A:ARG259 4.2 41.9 1.0
CD A:GLN182 4.2 43.1 1.0
O A:HOH606 4.2 45.5 1.0
CB A:GLN265 4.4 44.9 1.0
CD1 A:LEU260 4.4 35.6 1.0
OE1 A:GLN182 4.5 42.8 1.0
O A:HIS263 4.5 40.0 1.0
CA A:GLN265 4.5 42.4 1.0
N A:GLY264 4.7 39.2 1.0
CD1 A:ILE230 4.7 37.1 1.0
CB A:ALA179 4.7 51.5 1.0
CD1 A:TYR226 4.9 39.8 1.0
C A:HIS263 4.9 39.9 1.0
OH A:TYR256 5.0 35.8 1.0

Chlorine binding site 2 out of 10 in 6h21

Go back to Chlorine Binding Sites List in 6h21
Chlorine binding site 2 out of 10 in the Tarp-Udp-Glcnac-Mn


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tarp-Udp-Glcnac-Mn within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:35.7
occ:1.00
 OH B:TYR226 3.0 24.1 1.0
NH1 B:ARG259 3.1 31.9 1.0
NE2 B:GLN182 3.2 36.8 1.0
NH2 B:ARG259 3.5 30.3 1.0
CE1 B:TYR226 3.7 23.2 1.0
CZ B:ARG259 3.7 28.0 1.0
CZ B:TYR226 3.8 23.4 1.0
CA B:GLY264 3.8 24.7 1.0
N B:GLN265 3.9 26.2 1.0
CD B:GLN182 4.2 31.5 1.0
C B:GLY264 4.3 25.7 1.0
O B:HIS263 4.5 24.7 1.0
CG B:GLN265 4.5 32.8 1.0
OE1 B:GLN182 4.5 29.8 1.0
CD1 B:LEU260 4.6 22.8 1.0
N B:GLY264 4.7 24.7 1.0
C B:HIS263 4.9 24.8 1.0
OH B:TYR256 4.9 20.8 1.0
CD1 B:TYR226 5.0 23.3 1.0
NE B:ARG259 5.0 27.8 1.0

Chlorine binding site 3 out of 10 in 6h21

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Chlorine binding site 3 out of 10 in the Tarp-Udp-Glcnac-Mn


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Tarp-Udp-Glcnac-Mn within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:51.2
occ:1.00
 OG1 B:THR28 2.8 26.6 1.0
OD1 B:ASP104 2.9 26.1 1.0
CZ B:ARG100 3.4 35.5 1.0
NH1 B:ARG100 3.5 36.5 1.0
CB B:GLU103 3.5 26.8 1.0
CG B:GLU103 3.5 28.6 1.0
CB B:THR28 3.6 28.6 1.0
NE B:ARG100 3.7 32.5 1.0
NH2 B:ARG100 3.7 37.7 1.0
CB B:ARG100 3.7 27.4 1.0
CG B:ARG100 3.7 29.1 1.0
CG B:ASP104 3.9 25.6 1.0
CG2 B:THR28 4.0 29.2 1.0
CA B:ARG100 4.0 25.8 1.0
O B:ARG100 4.2 24.5 1.0
O B:HOH664 4.2 36.8 1.0
CD B:ARG100 4.2 31.3 1.0
N B:ASP104 4.4 24.5 1.0
OD2 B:ASP104 4.4 25.8 1.0
C B:ARG100 4.6 24.6 1.0
CA B:GLU103 4.7 25.2 1.0
C B:GLU103 4.7 25.2 1.0
O B:HOH579 4.8 20.5 1.0
CD B:GLU103 4.9 30.2 1.0
CB B:ASP104 4.9 24.8 1.0
CA B:ASP104 4.9 24.6 1.0
CA B:THR28 5.0 27.9 1.0

Chlorine binding site 4 out of 10 in 6h21

Go back to Chlorine Binding Sites List in 6h21
Chlorine binding site 4 out of 10 in the Tarp-Udp-Glcnac-Mn


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Tarp-Udp-Glcnac-Mn within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:28.0
occ:1.00
 N B:ASN245 3.3 25.5 1.0
N B:LYS244 3.4 25.3 1.0
CB B:ASN245 3.5 25.5 1.0
CA B:TYR243 3.6 22.9 1.0
C B:TYR243 3.8 23.6 1.0
CB B:LYS248 3.9 21.6 1.0
CA B:ASN245 4.0 25.4 1.0
CG B:LYS248 4.0 21.3 1.0
O B:ILE242 4.0 24.8 1.0
C B:LYS244 4.3 26.1 1.0
CB B:TYR243 4.3 21.8 1.0
CA B:LYS244 4.4 26.8 1.0
CD1 B:TYR243 4.7 21.7 1.0
O B:TYR243 4.7 22.6 1.0
N B:TYR243 4.7 23.1 1.0
O B:ASN245 4.8 23.1 1.0
C B:ILE242 4.8 24.3 1.0
C B:ASN245 4.9 24.4 1.0
CG B:ASN245 4.9 25.7 1.0
CG B:TYR243 5.0 21.5 1.0
CB B:LYS244 5.0 30.0 1.0

Chlorine binding site 5 out of 10 in 6h21

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Chlorine binding site 5 out of 10 in the Tarp-Udp-Glcnac-Mn


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Tarp-Udp-Glcnac-Mn within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:45.2
occ:1.00
 NE2 B:GLN251 3.2 21.3 1.0
CE B:LYS255 3.6 23.9 1.0
NZ B:LYS255 3.8 26.1 1.0
CD1 B:TYR300 3.8 21.8 1.0
CG B:GLN251 4.0 20.2 1.0
CD B:GLN251 4.0 20.8 1.0
CE1 B:TYR300 4.2 22.1 1.0
CG B:TYR300 4.9 21.2 1.0

Chlorine binding site 6 out of 10 in 6h21

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Chlorine binding site 6 out of 10 in the Tarp-Udp-Glcnac-Mn


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Tarp-Udp-Glcnac-Mn within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:35.3
occ:1.00
 O B:HOH709 3.0 31.6 1.0
N B:TYR226 3.2 24.3 1.0
CA B:GLY223 3.3 28.9 1.0
N B:GLY223 3.4 31.1 1.0
C B:GLY223 3.4 27.5 1.0
N B:GLN225 3.4 26.9 1.0
N B:ASN224 3.6 27.6 1.0
CB B:TYR226 3.7 23.9 1.0
OG B:SER221 3.7 50.8 1.0
CB B:GLN225 3.9 28.0 1.0
O B:GLY223 4.0 25.9 1.0
CA B:GLN225 4.0 26.5 1.0
CA B:TYR226 4.0 23.2 1.0
C B:GLN225 4.1 24.8 1.0
CB B:SER221 4.1 49.1 1.0
C B:ASN224 4.3 26.4 1.0
OG1 B:THR222 4.3 36.1 1.0
N B:THR222 4.5 41.1 1.0
CA B:ASN224 4.6 27.3 1.0
C B:THR222 4.6 33.8 1.0
OG1 B:THR178 4.7 47.0 1.0
CG B:GLN225 4.8 30.0 1.0

Chlorine binding site 7 out of 10 in 6h21

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Chlorine binding site 7 out of 10 in the Tarp-Udp-Glcnac-Mn


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Tarp-Udp-Glcnac-Mn within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl406

b:28.7
occ:1.00
 O B:HOH797 2.9 41.1 1.0
OG B:SER155 3.1 20.1 1.0
C B:ALA153 3.3 20.6 1.0
N B:SER155 3.3 19.8 1.0
O B:HOH778 3.3 40.1 1.0
NZ B:LYS158 3.4 19.1 1.0
CA B:ALA153 3.4 21.1 1.0
CB B:SER155 3.4 20.0 1.0
O B:ALA153 3.5 20.5 1.0
CG B:PRO131 3.5 40.6 1.0
CE2 B:TYR121 3.5 21.6 1.0
N B:LEU154 3.7 20.3 1.0
CB B:ALA153 3.8 21.6 1.0
OH B:TYR121 3.9 20.6 1.0
CA B:SER155 3.9 19.6 1.0
CZ B:TYR121 4.0 21.1 1.0
CD B:PRO131 4.2 41.7 1.0
C B:LEU154 4.3 19.6 1.0
CD2 B:TYR121 4.4 22.1 1.0
CA B:LEU154 4.6 19.8 1.0
O B:SER155 4.7 19.1 1.0
CB B:PRO131 4.7 41.5 1.0
CE B:LYS158 4.8 18.9 1.0
N B:ALA153 4.8 20.8 1.0
C B:SER155 4.8 19.2 1.0

Chlorine binding site 8 out of 10 in 6h21

Go back to Chlorine Binding Sites List in 6h21
Chlorine binding site 8 out of 10 in the Tarp-Udp-Glcnac-Mn


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Tarp-Udp-Glcnac-Mn within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl407

b:28.5
occ:1.00
 NZ B:LYS248 3.0 21.1 1.0
O B:HOH686 3.0 28.9 1.0
N B:ILE146 3.3 20.5 1.0
O B:HOH642 3.3 23.5 1.0
N B:ILE145 3.6 21.1 1.0
CG1 B:ILE146 3.7 20.1 1.0
CB B:ILE146 3.8 20.8 1.0
CE B:LYS248 3.8 20.9 1.0
CD1 B:ILE146 3.8 20.3 1.0
CB B:ILE145 4.0 20.1 1.0
CA B:ILE145 4.1 20.4 1.0
C B:ILE145 4.1 20.4 1.0
CA B:ILE146 4.1 20.8 1.0
CB B:ASP144 4.2 24.9 1.0
C B:ASP144 4.2 22.0 1.0
CD2 B:LEU252 4.4 19.2 1.0
CA B:ASP144 4.5 23.2 1.0
CG2 B:ILE145 4.9 19.9 1.0
N B:ASP147 4.9 22.7 1.0
CG1 B:ILE145 4.9 20.1 1.0
OD1 B:ASP144 5.0 30.6 1.0

Chlorine binding site 9 out of 10 in 6h21

Go back to Chlorine Binding Sites List in 6h21
Chlorine binding site 9 out of 10 in the Tarp-Udp-Glcnac-Mn


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Tarp-Udp-Glcnac-Mn within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:37.7
occ:1.00
 OG C:SER155 3.1 32.7 1.0
NZ C:LYS158 3.3 32.5 1.0
C C:ALA153 3.4 33.0 1.0
N C:SER155 3.4 32.1 1.0
CA C:ALA153 3.4 33.4 1.0
CG C:PRO131 3.4 50.2 1.0
CB C:SER155 3.4 32.6 1.0
CE2 C:TYR121 3.6 34.7 1.0
N C:LEU154 3.7 32.5 1.0
O C:ALA153 3.7 33.4 1.0
CB C:ALA153 3.8 34.2 1.0
OH C:TYR121 3.8 34.1 1.0
CZ C:TYR121 4.0 34.5 1.0
CA C:SER155 4.0 32.2 1.0
CD C:PRO131 4.1 51.6 1.0
O C:HOH686 4.3 59.7 1.0
C C:LEU154 4.4 32.1 1.0
CD2 C:TYR121 4.5 35.2 1.0
CE C:LYS158 4.6 32.9 1.0
CA C:LEU154 4.6 32.3 1.0
CB C:PRO131 4.7 50.1 1.0
O C:SER155 4.7 32.4 1.0
N C:ALA153 4.7 33.1 1.0
C C:SER155 4.8 32.4 1.0
O C:HOH640 4.9 44.1 1.0
CE1 C:TYR121 5.0 34.8 1.0

Chlorine binding site 10 out of 10 in 6h21

Go back to Chlorine Binding Sites List in 6h21
Chlorine binding site 10 out of 10 in the Tarp-Udp-Glcnac-Mn


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Tarp-Udp-Glcnac-Mn within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:44.8
occ:1.00
 OH C:TYR226 3.0 34.2 1.0
NE2 C:GLN182 3.2 40.4 1.0
NH2 C:ARG259 3.3 35.0 1.0
NH1 C:ARG259 3.3 37.7 1.0
CE1 C:TYR226 3.7 34.2 1.0
N C:GLN265 3.8 34.7 1.0
CZ C:ARG259 3.8 35.6 1.0
CZ C:TYR226 3.8 34.3 1.0
CA C:GLY264 3.8 33.5 1.0
C C:GLY264 4.2 34.3 1.0
CD C:GLN182 4.3 39.1 1.0
O C:HIS263 4.4 35.1 1.0
OE1 C:GLN182 4.5 39.0 1.0
CD1 C:LEU260 4.6 29.6 1.0
N C:GLY264 4.7 33.5 1.0
CA C:GLN265 4.8 36.6 1.0
CB C:GLN265 4.9 39.4 1.0
CD1 C:ILE230 4.9 30.5 1.0
C C:HIS263 4.9 34.2 1.0
OH C:TYR256 5.0 30.4 1.0
CB C:ALA179 5.0 43.5 1.0

Reference:

D.Gerlach, Y.Guo, C.De Castro, S.H.Kim, K.Schlatterer, F.F.Xu, C.Pereira, P.H.Seeberger, S.Ali, J.Codee, W.Sirisarn, B.Schulte, C.Wolz, J.Larsen, A.Molinaro, B.L.Lee, G.Xia, T.Stehle, A.Peschel. Methicillin-Resistant Staphylococcus Aureus Alters Cell Wall Glycosylation to Evade Immunity. Nature V. 563 705 2018.
ISSN: ESSN 1476-4687
PubMed: 30464342
DOI: 10.1038/S41586-018-0730-X
Page generated: Sat Dec 12 13:03:33 2020

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