Chlorine in PDB 8vui: Structure of FABS1CE-Epr-1, An Elbow-Locked Fab, in Complex with the Erythropoeitin Receptor

Protein crystallography data

The structure of Structure of FABS1CE-Epr-1, An Elbow-Locked Fab, in Complex with the Erythropoeitin Receptor, PDB code: 8vui was solved by A.U.Singer, H.A.Bruce, L.Blazer, J.J.Adams, S.S.Sidhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 98.51 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.39, 71.93, 197.02, 90, 90, 90
R / Rfree (%) 19.7 / 24

Other elements in 8vui:

The structure of Structure of FABS1CE-Epr-1, An Elbow-Locked Fab, in Complex with the Erythropoeitin Receptor also contains other interesting chemical elements:

Sodium (Na) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of FABS1CE-Epr-1, An Elbow-Locked Fab, in Complex with the Erythropoeitin Receptor (pdb code 8vui). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Structure of FABS1CE-Epr-1, An Elbow-Locked Fab, in Complex with the Erythropoeitin Receptor, PDB code: 8vui:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 8vui

Go back to Chlorine Binding Sites List in 8vui
Chlorine binding site 1 out of 6 in the Structure of FABS1CE-Epr-1, An Elbow-Locked Fab, in Complex with the Erythropoeitin Receptor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of FABS1CE-Epr-1, An Elbow-Locked Fab, in Complex with the Erythropoeitin Receptor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:60.7
occ:1.00
 N A:VAL135 3.2 31.0 1.0
O A:VAL135 3.7 36.4 1.0
CA A:SER134 3.9 35.8 1.0
C A:SER134 4.0 37.6 1.0
CA A:VAL135 4.1 33.2 1.0
CB A:VAL135 4.2 37.2 1.0
C A:VAL135 4.3 32.9 1.0
CG1 A:VAL221 4.5 37.1 1.0
O A:PRO133 4.5 42.1 1.0
CB A:SER134 4.6 43.2 1.0
CG2 A:VAL135 4.6 33.7 1.0
CG2 A:VAL221 4.9 37.2 1.0

Chlorine binding site 2 out of 6 in 8vui

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Chlorine binding site 2 out of 6 in the Structure of FABS1CE-Epr-1, An Elbow-Locked Fab, in Complex with the Erythropoeitin Receptor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of FABS1CE-Epr-1, An Elbow-Locked Fab, in Complex with the Erythropoeitin Receptor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:76.4
occ:1.00
 NZ A:LYS224 3.0 57.8 1.0
OG1 A:THR207 3.8 53.2 1.0
CE A:LYS224 4.1 59.2 1.0
O A:GLN206 4.2 50.0 1.0
NA A:NA303 4.3 54.7 1.0
O A:GLY204 4.3 72.4 1.0
C A:GLN206 4.5 48.7 1.0
O A:HOH422 4.5 36.8 1.0
CA A:THR207 4.5 43.6 1.0
N A:THR207 4.7 48.7 1.0
O A:THR205 4.7 68.0 1.0
O A:LEU203 4.7 57.0 1.0
CB A:THR207 4.8 44.8 1.0
C A:THR205 4.8 67.4 1.0
C A:GLY204 4.8 71.9 1.0

Chlorine binding site 3 out of 6 in 8vui

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Chlorine binding site 3 out of 6 in the Structure of FABS1CE-Epr-1, An Elbow-Locked Fab, in Complex with the Erythropoeitin Receptor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of FABS1CE-Epr-1, An Elbow-Locked Fab, in Complex with the Erythropoeitin Receptor within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl305

b:78.5
occ:1.00
 N G:SER188 2.9 54.7 1.0
CA G:ASP187 3.6 45.4 1.0
CB G:SER188 3.6 68.8 1.0
O G:GLN186 3.7 45.3 1.0
C G:ASP187 3.7 55.5 1.0
OG G:SER188 3.8 81.4 1.0
CA G:SER188 3.9 61.2 1.0
OD1 G:ASP187 4.2 56.1 1.0
CG G:ASP187 4.4 51.7 1.0
C G:GLN186 4.5 41.6 1.0
N G:ASP187 4.5 45.7 1.0
CB G:ASP187 4.6 46.7 1.0
O G:ASP187 4.9 55.2 1.0
OD2 G:ASP187 5.0 54.2 1.0

Chlorine binding site 4 out of 6 in 8vui

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Chlorine binding site 4 out of 6 in the Structure of FABS1CE-Epr-1, An Elbow-Locked Fab, in Complex with the Erythropoeitin Receptor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of FABS1CE-Epr-1, An Elbow-Locked Fab, in Complex with the Erythropoeitin Receptor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl304

b:72.9
occ:1.00
 N D:HIS114 3.2 57.1 1.0
CA D:ILE113 3.4 56.1 1.0
CB D:ILE113 3.7 53.7 1.0
CG2 D:ILE113 3.7 54.1 1.0
C D:ILE113 3.8 58.0 1.0
O D:HIS114 4.0 47.6 1.0
CB D:GLU117 4.0 58.5 1.0
O D:VAL112 4.2 53.2 1.0
CA D:HIS114 4.3 61.8 1.0
CG1 D:VAL118 4.3 52.1 1.0
CB D:HIS114 4.5 59.1 1.0
ND1 D:HIS114 4.5 66.5 1.0
C D:HIS114 4.6 54.3 1.0
N D:ILE113 4.6 52.7 1.0
CG D:GLU117 4.8 63.3 1.0
NH1 D:ARG111 4.9 52.4 1.0
C D:VAL112 4.9 54.2 1.0
CG D:HIS114 5.0 61.4 1.0

Chlorine binding site 5 out of 6 in 8vui

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Chlorine binding site 5 out of 6 in the Structure of FABS1CE-Epr-1, An Elbow-Locked Fab, in Complex with the Erythropoeitin Receptor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of FABS1CE-Epr-1, An Elbow-Locked Fab, in Complex with the Erythropoeitin Receptor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl305

b:60.3
occ:0.52
 CL D:CL305 0.0 60.3 0.5
CL D:CL305 2.1 60.4 0.5
N D:ASP122 2.8 49.9 1.0
OG1 D:THR148 3.0 73.3 1.0
CG D:ASP122 3.5 57.5 1.0
CB D:ASP122 3.5 52.8 1.0
CB D:PRO145 3.7 54.8 1.0
CA D:LEU121 3.7 48.7 1.0
C D:LEU121 3.7 52.1 1.0
CA D:ASP122 3.7 51.5 1.0
CG2 D:THR148 3.7 70.0 1.0
CB D:LEU121 3.7 51.4 1.0
OD1 D:ASP122 3.8 58.1 1.0
OD2 D:ASP122 3.9 57.4 1.0
CB D:THR148 3.9 74.5 1.0
CD2 D:LEU121 4.0 50.7 1.0
O D:PRO146 4.2 65.1 1.0
NZ D:LYS14 4.3 57.2 1.0
CG D:PRO145 4.4 52.3 1.0
CG D:LEU121 4.5 54.4 1.0
O D:ASP122 4.6 49.7 1.0
O D:GLU31 4.6 62.8 1.0
C D:ASP122 4.6 54.6 1.0
O D:GLU147 4.7 73.4 1.0
NH2 D:ARG32 4.8 68.6 0.5
CA D:THR148 4.9 77.4 1.0
CZ D:ARG32 4.9 65.6 0.5
CA D:PRO145 4.9 56.8 1.0
O D:LEU121 4.9 50.2 1.0
NH1 D:ARG32 5.0 65.9 0.5
C D:PRO145 5.0 55.0 1.0

Chlorine binding site 6 out of 6 in 8vui

Go back to Chlorine Binding Sites List in 8vui
Chlorine binding site 6 out of 6 in the Structure of FABS1CE-Epr-1, An Elbow-Locked Fab, in Complex with the Erythropoeitin Receptor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of FABS1CE-Epr-1, An Elbow-Locked Fab, in Complex with the Erythropoeitin Receptor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl305

b:60.4
occ:0.48
 CL D:CL305 0.0 60.4 0.5
CL D:CL305 2.1 60.3 0.5
NZ D:LYS14 3.0 57.2 1.0
O D:GLU31 3.2 62.8 1.0
NH1 D:ARG32 3.4 65.9 0.5
N D:ASP122 3.5 49.9 1.0
OD1 D:ASP122 3.5 58.1 1.0
CA D:LEU121 3.8 48.7 1.0
CZ D:ARG32 3.8 65.6 0.5
C D:GLU31 3.9 58.1 1.0
CG D:ASP122 3.9 57.5 1.0
CB D:GLU31 3.9 60.0 1.0
C D:LEU121 4.0 52.1 1.0
O D:LEU120 4.0 51.3 1.0
CA D:GLU31 4.1 56.2 1.0
OE1 D:GLU31 4.1 55.3 1.0
NH2 D:ARG32 4.2 68.6 0.5
OD2 D:ASP122 4.3 57.4 1.0
CG D:ARG32 4.5 65.8 0.5
NE D:ARG32 4.5 66.7 0.5
CD2 D:LEU121 4.5 50.7 1.0
CE D:LYS14 4.5 54.0 1.0
CB D:ASP122 4.5 52.8 1.0
CB D:LEU121 4.5 51.4 1.0
CA D:ASP122 4.5 51.5 1.0
CG D:GLU31 4.6 58.7 1.0
OG1 D:THR148 4.7 73.3 1.0
CG D:ARG32 4.7 64.0 0.5
N D:LEU121 4.8 51.0 1.0
C D:LEU120 4.8 51.2 1.0
CD D:ARG32 4.8 65.5 0.5
CD D:GLU31 4.9 62.9 1.0
N D:ARG32 4.9 58.9 0.5
N D:ARG32 4.9 58.9 0.5
CG2 D:THR148 4.9 70.0 1.0

Reference:

H.A.Bruce, A.U.Singer, L.L.Blazer, K.Luu, L.Ploder, A.Pavlenco, I.Kurinov, J.J.Adams, S.S.Sidhu. Antigen-Binding Fragments with Improved Crystal Lattice Packing and Enhanced Conformational Flexibility at the Elbow Region As Crystallization Chaperones. Protein Sci. V. 33 E5081 2024.
ISSN: ESSN 1469-896X
PubMed: 38924648
DOI: 10.1002/PRO.5081
Page generated: Tue Jul 30 13:43:10 2024

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