Chlorine in PDB 6h4f: Tarp-3RBOP

Protein crystallography data

The structure of Tarp-3RBOP, PDB code: 6h4f 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) 49.75 / 2.18
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 95.610, 217.270, 123.990, 90.00, 91.38, 90.00
R / Rfree (%) 17.2 / 20.5

Other elements in 6h4f:

The structure of Tarp-3RBOP also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Chlorine atom in the Tarp-3RBOP (pdb code 6h4f). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 17 binding sites of Chlorine where determined in the Tarp-3RBOP, PDB code: 6h4f:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 17 in 6h4f

Go back to Chlorine Binding Sites List in 6h4f
Chlorine binding site 1 out of 17 in the Tarp-3RBOP


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tarp-3RBOP within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl403

b:38.3
occ:1.00
 CE1 B:TYR56 3.9 33.4 1.0
OH B:TYR56 3.9 46.0 1.0
CZ B:TYR56 4.3 39.5 1.0
CD1 B:TYR56 4.9 35.6 1.0
OG B:SER22 5.0 44.8 1.0

Chlorine binding site 2 out of 17 in 6h4f

Go back to Chlorine Binding Sites List in 6h4f
Chlorine binding site 2 out of 17 in the Tarp-3RBOP


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tarp-3RBOP within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl404

b:41.0
occ:1.00
 NZ B:LYS248 3.0 26.4 1.0
O B:HOH640 3.0 51.2 1.0
N B:ILE146 3.2 27.9 1.0
O B:HOH554 3.3 23.8 1.0
CG1 B:ILE146 3.3 40.7 1.0
N B:ILE145 3.5 28.2 1.0
CB B:ILE146 3.7 34.2 1.0
CE B:LYS248 3.8 26.7 1.0
CB B:ILE145 3.9 30.7 1.0
CA B:ILE145 4.0 28.5 1.0
C B:ILE145 4.1 31.2 1.0
CA B:ILE146 4.1 31.5 1.0
C B:ASP144 4.2 31.3 1.0
CB B:ASP144 4.2 41.0 1.0
O E:LYS55 4.3 35.3 1.0
CA B:ASP144 4.5 33.9 1.0
CD2 B:LEU252 4.5 24.8 1.0
CD1 B:ILE146 4.7 41.2 1.0
CG2 B:ILE145 4.8 30.8 1.0
CG1 B:ILE145 4.8 31.7 1.0
N B:ASP147 4.9 27.9 1.0
C E:LYS55 4.9 36.4 1.0
CA E:LYS55 5.0 34.6 1.0
OD1 B:ASP144 5.0 65.2 1.0
O B:ASP144 5.0 31.0 1.0

Chlorine binding site 3 out of 17 in 6h4f

Go back to Chlorine Binding Sites List in 6h4f
Chlorine binding site 3 out of 17 in the Tarp-3RBOP


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Tarp-3RBOP within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl405

b:43.0
occ:1.00
 OH B:TYR226 2.8 34.6 1.0
O B:HOH525 3.2 35.0 1.0
NE2 B:GLN182 3.4 33.5 1.0
CE1 B:TYR226 3.6 31.9 1.0
CZ B:TYR226 3.6 33.9 1.0
N B:GLN265 3.6 32.0 1.0
CA B:GLY264 3.7 29.9 1.0
C B:GLY264 4.1 31.7 1.0
CD B:GLN182 4.5 41.9 1.0
O B:HIS263 4.5 30.2 1.0
CB B:GLN265 4.5 37.5 1.0
CA B:GLN265 4.6 36.3 1.0
OE1 B:GLN182 4.7 37.7 1.0
CD1 B:LEU260 4.7 33.0 1.0
N B:GLY264 4.7 32.0 1.0
CB B:ALA179 4.8 34.5 1.0
CD1 B:TYR226 4.9 34.5 1.0
CE2 B:TYR226 4.9 29.1 1.0
OH B:TYR256 4.9 32.6 1.0
CD1 B:ILE230 4.9 30.7 1.0
C B:HIS263 5.0 32.1 1.0

Chlorine binding site 4 out of 17 in 6h4f

Go back to Chlorine Binding Sites List in 6h4f
Chlorine binding site 4 out of 17 in the Tarp-3RBOP


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Tarp-3RBOP within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl402

b:48.1
occ:1.00
 OH C:TYR226 2.9 37.0 1.0
O C:HOH520 3.3 40.4 1.0
NE2 C:GLN182 3.3 38.2 1.0
N C:GLN265 3.6 37.1 1.0
CE1 C:TYR226 3.6 35.2 1.0
CZ C:TYR226 3.7 33.8 1.0
CA C:GLY264 3.7 34.8 1.0
C C:GLY264 4.1 38.7 1.0
CD C:GLN182 4.4 38.0 1.0
CB C:GLN265 4.4 45.9 1.0
O C:HIS263 4.5 36.4 1.0
CA C:GLN265 4.6 41.5 1.0
CB C:ALA179 4.6 44.9 1.0
OE1 C:GLN182 4.6 38.2 1.0
N C:GLY264 4.8 34.0 1.0
CD1 C:LEU260 4.8 36.0 1.0
CAR C:FQ8401 4.8 79.3 1.0
OAD C:FQ8401 4.8 99.5 1.0
CD1 C:TYR226 4.9 35.7 1.0
OH C:TYR256 5.0 33.0 1.0
CD1 C:ILE230 5.0 37.0 1.0

Chlorine binding site 5 out of 17 in 6h4f

Go back to Chlorine Binding Sites List in 6h4f
Chlorine binding site 5 out of 17 in the Tarp-3RBOP


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Tarp-3RBOP within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl402

b:45.4
occ:1.00
 O F:HOH588 3.0 37.8 1.0
OH F:TYR226 3.0 33.9 1.0
O F:HOH574 3.1 37.1 1.0
NE2 F:GLN182 3.3 33.6 1.0
OAD F:FQ8401 3.3 0.0 1.0
N F:GLN265 3.7 36.0 1.0
CE1 F:TYR226 3.7 33.5 1.0
CA F:GLY264 3.8 37.7 1.0
CZ F:TYR226 3.8 34.8 1.0
C F:GLY264 4.2 40.0 1.0
CD F:GLN182 4.4 36.0 1.0
O F:HIS263 4.4 32.9 1.0
CAR F:FQ8401 4.6 82.0 1.0
CB F:GLN265 4.6 43.0 1.0
OE1 F:GLN182 4.6 39.1 1.0
CB F:ALA179 4.7 36.5 1.0
CA F:GLN265 4.7 40.8 1.0
CBC F:FQ8401 4.8 73.4 1.0
N F:GLY264 4.8 33.1 1.0
CD1 F:LEU260 4.9 33.3 1.0
OH F:TYR256 4.9 40.1 1.0
C F:HIS263 5.0 31.2 1.0

Chlorine binding site 6 out of 17 in 6h4f

Go back to Chlorine Binding Sites List in 6h4f
Chlorine binding site 6 out of 17 in the Tarp-3RBOP


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Tarp-3RBOP within 5.0Å range:
probe atom residue distance (Å) B Occ
O:Cl402

b:45.5
occ:1.00
 OH O:TYR226 3.0 38.5 1.0
O O:HOH544 3.0 43.4 1.0
O O:HOH536 3.2 40.6 1.0
NE2 O:GLN182 3.3 28.3 1.0
CE1 O:TYR226 3.6 31.4 1.0
CZ O:TYR226 3.7 32.7 1.0
N O:GLN265 3.8 37.8 1.0
CA O:GLY264 3.8 31.9 1.0
C O:GLY264 4.2 35.0 1.0
CD O:GLN182 4.4 34.5 1.0
O O:HIS263 4.5 30.2 1.0
OE1 O:GLN182 4.6 34.7 1.0
CB O:GLN265 4.6 43.8 1.0
CB O:ALA179 4.7 39.7 1.0
CA O:GLN265 4.8 38.6 1.0
N O:GLY264 4.8 30.7 1.0
CD1 O:LEU260 4.8 30.3 1.0
OH O:TYR256 4.9 34.7 1.0
CD1 O:ILE230 4.9 33.6 1.0
CD1 O:TYR226 4.9 31.7 1.0

Chlorine binding site 7 out of 17 in 6h4f

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Chlorine binding site 7 out of 17 in the Tarp-3RBOP


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Tarp-3RBOP within 5.0Å range:
probe atom residue distance (Å) B Occ
O:Cl403

b:81.5
occ:1.00
 O O:HOH648 2.7 41.6 1.0
O O:HOH609 3.0 43.6 1.0
N O:LEU317 3.9 31.0 1.0
O O:ASN315 4.3 30.9 1.0
CB O:LEU317 4.3 34.4 1.0
CD1 O:ILE280 4.3 35.4 1.0
CA O:ASP316 4.5 33.0 1.0
C O:ASP316 4.7 29.7 1.0
OE1 I:GLN314 4.7 40.7 1.0
CA O:LEU317 4.7 31.4 1.0
OH O:TYR276 4.8 35.0 1.0
OD1 O:ASP316 4.9 44.8 1.0
CD I:GLN314 5.0 40.8 1.0

Chlorine binding site 8 out of 17 in 6h4f

Go back to Chlorine Binding Sites List in 6h4f
Chlorine binding site 8 out of 17 in the Tarp-3RBOP


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Tarp-3RBOP within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl402

b:50.0
occ:1.00
 OH E:TYR226 3.0 36.5 1.0
O E:HOH507 3.2 43.6 1.0
NE2 E:GLN182 3.2 34.8 1.0
OAD E:FQ8401 3.2 88.9 1.0
CE1 E:TYR226 3.6 33.9 1.0
CZ E:TYR226 3.7 39.0 1.0
CA E:GLY264 4.0 36.5 1.0
N E:GLN265 4.0 40.1 1.0
CD E:GLN182 4.3 45.1 1.0
CAR E:FQ8401 4.4 97.7 1.0
OE1 E:GLN182 4.5 37.7 1.0
C E:GLY264 4.5 32.0 1.0
CBC E:FQ8401 4.5 92.2 1.0
O E:HIS263 4.6 28.0 1.0
CD1 E:LEU260 4.8 39.9 1.0
OH E:TYR256 4.8 32.7 1.0
NH2 E:ARG259 4.8 45.5 1.0
CG E:GLN265 4.8 66.7 1.0
CD1 E:ILE230 4.8 39.9 1.0
CB E:ALA179 4.8 48.6 1.0
CB E:GLN265 4.8 42.2 1.0
CD1 E:TYR226 4.9 34.5 1.0
OE1 E:GLN265 4.9 0.8 1.0
N E:GLY264 4.9 31.9 1.0
CA E:GLN265 5.0 39.9 1.0

Chlorine binding site 9 out of 17 in 6h4f

Go back to Chlorine Binding Sites List in 6h4f
Chlorine binding site 9 out of 17 in the Tarp-3RBOP


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Tarp-3RBOP within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl402

b:50.0
occ:1.00
 OH G:TYR226 2.9 35.6 1.0
O G:HOH557 3.3 46.2 1.0
NE2 G:GLN182 3.3 31.4 1.0
CE1 G:TYR226 3.6 35.2 1.0
N G:GLN265 3.6 37.2 1.0
CZ G:TYR226 3.7 36.3 1.0
CA G:GLY264 3.7 33.5 1.0
C G:GLY264 4.1 38.8 1.0
OAD G:FQ8401 4.2 0.6 1.0
CD G:GLN182 4.4 33.6 1.0
CB G:GLN265 4.5 42.7 1.0
O G:HIS263 4.5 34.0 1.0
CAR G:FQ8401 4.6 0.9 1.0
CB G:ALA179 4.6 41.2 1.0
OE1 G:GLN182 4.6 35.3 1.0
CA G:GLN265 4.6 42.7 1.0
CBC G:FQ8401 4.7 0.4 1.0
CD1 G:LEU260 4.7 39.6 1.0
N G:GLY264 4.7 30.9 1.0
CD1 G:ILE230 4.9 33.8 1.0
OH G:TYR256 4.9 34.0 1.0
CD1 G:TYR226 4.9 34.6 1.0
OG1 G:THR178 5.0 65.8 1.0

Chlorine binding site 10 out of 17 in 6h4f

Go back to Chlorine Binding Sites List in 6h4f
Chlorine binding site 10 out of 17 in the Tarp-3RBOP


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Tarp-3RBOP within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl403

b:78.8
occ:1.00
 O G:HOH616 2.7 42.6 1.0
O G:HOH544 3.0 50.1 1.0
N G:LEU317 3.9 33.5 1.0
CD1 G:ILE280 4.0 32.7 1.0
CB G:LEU317 4.1 34.2 1.0
OE1 E:GLN314 4.3 41.4 1.0
O G:ASN315 4.4 35.6 1.0
CD E:GLN314 4.6 38.9 1.0
CA G:LEU317 4.6 33.3 1.0
OH G:TYR276 4.7 39.7 1.0
CA G:ASP316 4.7 36.7 1.0
NE2 E:GLN314 4.8 38.9 1.0
C G:ASP316 4.8 31.7 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: Sun Jul 28 00:34:51 2024

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