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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

Go back to Chlorine Binding Sites List in 7uvh
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 Jul 30 05:11:37 2024

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