Chlorine in PDB 8acf: Structure of the Argx-117 in Complex with A Complement C2 Fragment at Low pH

Protein crystallography data

The structure of Structure of the Argx-117 in Complex with A Complement C2 Fragment at Low pH, PDB code: 8acf was solved by H.G.Olesen, G.R.Andersen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.57 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.83, 89.14, 146.49, 90, 90, 90
R / Rfree (%) 17.8 / 19.9

Other elements in 8acf:

The structure of Structure of the Argx-117 in Complex with A Complement C2 Fragment at Low pH also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Argx-117 in Complex with A Complement C2 Fragment at Low pH (pdb code 8acf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the Argx-117 in Complex with A Complement C2 Fragment at Low pH, PDB code: 8acf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 8acf

Go back to Chlorine Binding Sites List in 8acf
Chlorine binding site 1 out of 2 in the Structure of the Argx-117 in Complex with A Complement C2 Fragment at Low pH


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Argx-117 in Complex with A Complement C2 Fragment at Low pH within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl201

b:68.2
occ:1.00
H K:GLY57 2.4 60.9 1.0
H K:GLY59 2.5 53.9 1.0
HA2 K:GLY59 3.2 52.1 1.0
O K:HOH328 3.2 50.4 1.0
N K:GLY57 3.2 50.7 1.0
N K:GLY59 3.3 44.8 1.0
HA K:SER56 3.5 62.6 1.0
CA K:GLY59 3.6 43.4 1.0
H K:ASP58 3.6 55.4 1.0
HA2 K:GLY57 3.6 60.5 1.0
CA K:GLY57 3.8 50.3 1.0
N K:ASP58 3.9 46.1 1.0
C K:GLY57 4.0 54.3 1.0
C K:GLY59 4.2 39.2 1.0
O K:HOH347 4.2 55.6 1.0
O K:ARG55 4.2 45.4 1.0
C K:SER56 4.3 50.4 1.0
CA K:SER56 4.3 52.1 1.0
C K:ASP58 4.4 45.2 1.0
HA3 K:GLY59 4.5 52.1 1.0
O K:GLY59 4.5 40.3 1.0
HA3 K:GLY57 4.7 60.5 1.0
CA K:ASP58 4.8 45.2 1.0
N K:ALA60 4.8 36.3 1.0
O K:GLY57 4.8 55.0 1.0
H K:ALA60 4.8 43.6 1.0

Chlorine binding site 2 out of 2 in 8acf

Go back to Chlorine Binding Sites List in 8acf
Chlorine binding site 2 out of 2 in the Structure of the Argx-117 in Complex with A Complement C2 Fragment at Low pH


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Argx-117 in Complex with A Complement C2 Fragment at Low pH within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl302

b:65.4
occ:1.00
HH11 L:ARG65 2.5 52.1 1.0
HB3 L:ARG65 2.9 46.8 1.0
H L:ARG65 2.9 44.7 1.0
HG2 L:ARG65 3.0 45.0 1.0
NH1 L:ARG65 3.2 43.4 1.0
HB3 L:PRO63 3.2 52.7 1.0
HD3 L:ARG65 3.3 52.7 1.0
HH12 L:ARG65 3.5 52.1 1.0
HB2 L:PRO63 3.5 52.7 1.0
CG L:ARG65 3.6 37.5 1.0
CB L:ARG65 3.6 38.9 1.0
N L:ARG65 3.6 37.2 1.0
OD1 L:ASP64 3.6 66.6 1.0
CB L:PRO63 3.8 43.9 1.0
H L:ASP64 3.9 48.6 1.0
CD L:ARG65 3.9 43.8 1.0
CA L:ARG65 4.1 38.6 1.0
N L:ASP64 4.2 40.5 1.0
CZ L:ARG65 4.3 43.1 1.0
HB2 L:ARG65 4.4 46.8 1.0
HG3 L:ARG65 4.5 45.0 1.0
HA L:ARG65 4.5 46.4 1.0
C L:ASP64 4.5 40.5 1.0
C L:PRO63 4.5 38.4 1.0
NE L:ARG65 4.5 39.2 1.0
CA L:PRO63 4.6 43.8 1.0
HA L:PRO63 4.7 52.6 1.0
O L:HOH482 4.7 53.3 1.0
HD2 L:ARG65 4.7 52.7 1.0
CG L:ASP64 4.8 57.5 1.0
CA L:ASP64 4.9 46.6 1.0

Reference:

H.G.Olesen, G.R.Andersen. Structure-Function Analysis of Argx-117, A Calcium- and pH-Dependent Clinical Phase Complement C2 Blocking Antibody To Be Published.
Page generated: Tue Jul 30 06:33:49 2024

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