Chlorine in PDB 7uvh: PFS230 Domain 1 Bound By Rupa-32 Fab

Protein crystallography data

The structure of PFS230 Domain 1 Bound By Rupa-32 Fab, PDB code: 7uvh was solved by D.Ivanochko, J.Newton, J.P.Julien, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.43 / 2.59
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 154.87, 80.47, 124.96, 90, 111.81, 90
R / Rfree (%) 19.6 / 23.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the PFS230 Domain 1 Bound By Rupa-32 Fab (pdb code 7uvh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the PFS230 Domain 1 Bound By Rupa-32 Fab, PDB code: 7uvh:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 7uvh

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Chlorine binding site 1 out of 10 in the PFS230 Domain 1 Bound By Rupa-32 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of PFS230 Domain 1 Bound By Rupa-32 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:68.5
occ:1.00
 N A:ALA28 3.5 61.5 1.0
OH A:TYR32 3.8 67.0 1.0
CA A:PHE27 3.9 57.4 1.0
CB A:PHE27 4.0 54.4 1.0
C A:PHE27 4.3 56.6 1.0
CB A:ALA28 4.3 61.0 1.0
CE2 A:TYR32 4.4 56.8 1.0
CA A:ALA28 4.5 60.9 1.0
CZ A:TYR32 4.6 60.9 1.0

Chlorine binding site 2 out of 10 in 7uvh

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Chlorine binding site 2 out of 10 in the PFS230 Domain 1 Bound By Rupa-32 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of PFS230 Domain 1 Bound By Rupa-32 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:76.9
occ:1.00
 OG A:SER30 3.3 54.9 1.0
N A:PHE29 3.5 52.6 1.0
CA A:ALA28 3.7 60.9 1.0
C A:ALA28 3.9 58.8 1.0
N A:SER30 4.0 53.9 1.0
CB A:ALA28 4.0 61.0 1.0
CB A:SER30 4.3 54.1 1.0
CA A:PHE29 4.5 52.5 1.0
CE A:LYS76 4.6 83.2 1.0
CB A:PHE29 4.6 51.5 1.0
O A:ALA28 4.7 59.6 1.0
C A:PHE29 4.7 58.5 1.0
O A:PHE27 4.8 58.3 1.0
CA A:SER30 4.8 56.2 1.0
N A:ALA28 5.0 61.5 1.0
O A:ASN73 5.0 70.0 1.0

Chlorine binding site 3 out of 10 in 7uvh

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Chlorine binding site 3 out of 10 in the PFS230 Domain 1 Bound By Rupa-32 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of PFS230 Domain 1 Bound By Rupa-32 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:81.1
occ:1.00
 NZ A:LYS76 3.3 87.7 1.0
N A:GLY26 3.5 60.0 1.0
CA A:GLY26 4.0 61.6 1.0
C A:SER25 4.5 65.0 1.0
CA A:SER25 4.6 64.8 1.0
CB A:SER25 4.7 70.2 1.0
C A:GLY26 4.7 66.9 1.0
CE A:LYS76 4.7 83.2 1.0
N A:PHE27 4.8 59.9 1.0
CG E:PRO56 4.9 89.2 1.0

Chlorine binding site 4 out of 10 in 7uvh

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Chlorine binding site 4 out of 10 in the PFS230 Domain 1 Bound By Rupa-32 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of PFS230 Domain 1 Bound By Rupa-32 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:93.9
occ:1.00
 NH1 B:ARG108 3.4 52.8 1.0
NH2 B:ARG108 3.7 50.3 1.0
CZ B:ARG108 3.9 56.4 1.0
CB B:ASP170 4.9 65.7 1.0

Chlorine binding site 5 out of 10 in 7uvh

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Chlorine binding site 5 out of 10 in the PFS230 Domain 1 Bound By Rupa-32 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of PFS230 Domain 1 Bound By Rupa-32 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:80.1
occ:1.00
 N B:SER208 3.6 62.1 1.0
CD B:LYS207 3.7 61.7 1.0
O B:SER208 3.8 59.6 1.0
CA B:LYS207 3.9 58.0 1.0
OG A:SER130 4.1 82.7 1.0
O B:THR206 4.2 58.7 1.0
C B:LYS207 4.3 58.1 1.0
CB B:LYS207 4.5 53.1 1.0
OG B:SER208 4.6 59.4 1.0
NZ B:LYS207 4.6 75.5 1.0
C B:SER208 4.7 59.8 1.0
CA B:SER208 4.7 60.8 1.0
CE B:LYS207 4.7 67.4 1.0
CG B:LYS207 4.7 57.4 1.0
CA A:SER130 4.9 98.4 1.0
N B:LYS207 4.9 57.0 1.0
C B:THR206 5.0 60.0 1.0
CB A:SER130 5.0 86.6 1.0

Chlorine binding site 6 out of 10 in 7uvh

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Chlorine binding site 6 out of 10 in the PFS230 Domain 1 Bound By Rupa-32 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of PFS230 Domain 1 Bound By Rupa-32 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:89.3
occ:1.00
 NE B:ARG54 3.3 77.1 1.0
NH2 B:ARG54 3.8 90.3 1.0
CZ B:ARG54 4.0 83.0 1.0
CD B:ARG54 4.3 67.6 1.0
CB B:ARG54 4.4 63.6 1.0
O B:ILE58 4.7 67.9 1.0
CG B:ARG54 4.9 64.3 1.0

Chlorine binding site 7 out of 10 in 7uvh

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Chlorine binding site 7 out of 10 in the PFS230 Domain 1 Bound By Rupa-32 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of PFS230 Domain 1 Bound By Rupa-32 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:64.5
occ:1.00
 NH2 B:ARG54 3.1 90.3 1.0
OG B:SER52 3.4 86.8 1.0
CB B:SER52 4.0 82.0 1.0
NH1 B:ARG54 4.0 79.5 1.0
CZ B:ARG54 4.0 83.0 1.0

Chlorine binding site 8 out of 10 in 7uvh

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Chlorine binding site 8 out of 10 in the PFS230 Domain 1 Bound By Rupa-32 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of PFS230 Domain 1 Bound By Rupa-32 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:61.5
occ:0.50
 NH2 D:ARG83 3.6 71.6 1.0
NH1 D:ARG83 3.9 73.9 1.0
CA D:SER62 4.0 64.4 1.0
CZ D:ARG83 4.2 71.2 1.0
CB D:SER62 4.5 62.6 1.0
O D:ASP61 4.5 65.9 1.0
O D:SER62 4.5 65.2 1.0
C D:SER62 4.7 63.6 1.0
N D:SER62 4.8 67.6 1.0
C D:ASP61 4.9 66.2 1.0

Chlorine binding site 9 out of 10 in 7uvh

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Chlorine binding site 9 out of 10 in the PFS230 Domain 1 Bound By Rupa-32 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of PFS230 Domain 1 Bound By Rupa-32 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:83.2
occ:1.00
 OH D:TYR32 3.7 83.1 1.0
N D:ALA28 3.9 71.5 1.0
CB D:PHE27 4.1 73.2 1.0
CA D:PHE27 4.2 75.3 1.0
CE2 D:TYR32 4.4 77.2 1.0
CZ D:TYR32 4.5 77.6 1.0
CB D:ALA28 4.5 67.2 1.0
C D:PHE27 4.6 74.4 1.0
CA D:ALA28 4.8 72.6 1.0

Chlorine binding site 10 out of 10 in 7uvh

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Chlorine binding site 10 out of 10 in the PFS230 Domain 1 Bound By Rupa-32 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of PFS230 Domain 1 Bound By Rupa-32 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl304

b:81.2
occ:1.00
 OG D:SER30 3.3 68.7 1.0
N D:PHE29 3.4 68.3 1.0
CE D:LYS76 3.5 88.8 1.0
CA D:ALA28 3.7 72.6 1.0
N D:SER30 3.8 67.3 1.0
C D:ALA28 3.8 69.7 1.0
NZ D:LYS76 3.8 80.8 1.0
CB D:SER30 4.2 65.2 1.0
CB D:ALA28 4.2 67.2 1.0
CA D:PHE29 4.3 70.3 1.0
CB D:PHE29 4.6 72.0 1.0
C D:PHE29 4.6 68.7 1.0
O D:PHE27 4.6 74.6 1.0
CA D:SER30 4.6 65.5 1.0
CD D:LYS76 4.7 87.3 1.0
O D:ALA28 4.7 68.7 1.0
CG D:LYS76 4.9 84.0 1.0
N D:ALA28 4.9 71.5 1.0

Reference:

D.Ivanochko, J.Newton, J.P.Julien. PFS230 Domain 1 Bound By Inhibitory Rupa-32 Fab To Be Published.
Page generated: Tue Apr 4 22:02:48 2023

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