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Chlorine in PDB 3och: Chemically Self-Assembled Antibody Nanorings (Csans): Design and Characterization of An Anti-CD3 Igm Biomimetic

Enzymatic activity of Chemically Self-Assembled Antibody Nanorings (Csans): Design and Characterization of An Anti-CD3 Igm Biomimetic

All present enzymatic activity of Chemically Self-Assembled Antibody Nanorings (Csans): Design and Characterization of An Anti-CD3 Igm Biomimetic:
1.5.1.3;

Protein crystallography data

The structure of Chemically Self-Assembled Antibody Nanorings (Csans): Design and Characterization of An Anti-CD3 Igm Biomimetic, PDB code: 3och was solved by V.Cody, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.20 / 1.79
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 91.714, 91.714, 73.130, 90.00, 90.00, 120.00
R / Rfree (%) 20.3 / 24.2

Other elements in 3och:

The structure of Chemically Self-Assembled Antibody Nanorings (Csans): Design and Characterization of An Anti-CD3 Igm Biomimetic also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Chemically Self-Assembled Antibody Nanorings (Csans): Design and Characterization of An Anti-CD3 Igm Biomimetic (pdb code 3och). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Chemically Self-Assembled Antibody Nanorings (Csans): Design and Characterization of An Anti-CD3 Igm Biomimetic, PDB code: 3och:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3och

Go back to Chlorine Binding Sites List in 3och
Chlorine binding site 1 out of 3 in the Chemically Self-Assembled Antibody Nanorings (Csans): Design and Characterization of An Anti-CD3 Igm Biomimetic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Chemically Self-Assembled Antibody Nanorings (Csans): Design and Characterization of An Anti-CD3 Igm Biomimetic within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl364

b:13.9
occ:1.00
 O A:HOH161 3.0 12.9 1.0
N A:GLY96 3.1 9.5 1.0
N A:THR46 3.3 9.5 1.0
N A:HIS45 3.3 11.2 1.0
C A:GLY43 3.3 8.8 1.0
CA A:GLY43 3.4 8.6 1.0
CB A:HIS45 3.5 9.6 1.0
N A:ARG44 3.6 8.4 1.0
OG1 A:THR46 3.6 11.1 1.0
CA A:GLY96 3.7 9.5 1.0
O A:HOH176 3.7 13.7 1.0
O A:GLY43 3.7 10.8 1.0
CA A:HIS45 3.8 10.1 1.0
ND1 A:HIS45 3.8 19.4 1.0
N A:GLY43 3.9 9.2 1.0
C A:HIS45 4.0 9.0 1.0
CB A:THR46 4.1 10.4 1.0
C A:GLY95 4.1 10.1 1.0
CG A:HIS45 4.1 13.5 1.0
O A:GLY95 4.2 11.2 1.0
C A:ARG44 4.2 11.2 1.0
CA A:THR46 4.3 8.9 1.0
O A:HOH204 4.5 18.5 1.0
O A:HOH172 4.5 14.9 1.0
CA A:ARG44 4.5 10.2 1.0
C A:GLY96 4.6 11.0 1.0
O A:HOH181 4.8 15.5 1.0
CG2 A:VAL99 5.0 11.1 1.0

Chlorine binding site 2 out of 3 in 3och

Go back to Chlorine Binding Sites List in 3och
Chlorine binding site 2 out of 3 in the Chemically Self-Assembled Antibody Nanorings (Csans): Design and Characterization of An Anti-CD3 Igm Biomimetic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Chemically Self-Assembled Antibody Nanorings (Csans): Design and Characterization of An Anti-CD3 Igm Biomimetic within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl365

b:14.6
occ:1.00
 O B:HOH12 3.1 11.6 1.0
N B:SER335 3.2 9.2 1.0
NH2 B:ARG359 3.4 12.6 1.0
CA B:GLU334 3.9 9.4 1.0
CB B:SER335 3.9 10.4 1.0
O B:TRP333 4.0 15.2 1.0
C B:GLU334 4.0 9.3 1.0
CA B:SER335 4.1 10.5 1.0
O B:SER335 4.5 11.3 1.0
CG B:GLU334 4.5 10.0 1.0
CZ B:ARG359 4.6 13.4 1.0
CB B:GLU334 4.8 10.5 1.0
C B:TRP333 4.8 12.0 1.0
N B:GLU334 4.8 10.4 1.0
C B:SER335 4.9 10.5 1.0
MN B:MN1 4.9 12.0 1.0

Chlorine binding site 3 out of 3 in 3och

Go back to Chlorine Binding Sites List in 3och
Chlorine binding site 3 out of 3 in the Chemically Self-Assembled Antibody Nanorings (Csans): Design and Characterization of An Anti-CD3 Igm Biomimetic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Chemically Self-Assembled Antibody Nanorings (Csans): Design and Characterization of An Anti-CD3 Igm Biomimetic within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl366

b:24.1
occ:1.00
 O B:HOH68 3.1 27.1 1.0
OG1 B:THR246 3.3 20.0 1.0
N B:GLY296 3.3 18.5 1.0
CA B:GLY296 3.4 17.4 1.0
N B:THR246 3.4 21.9 1.0
CA B:GLY243 3.5 21.0 1.0
C B:GLY243 3.6 21.5 1.0
CB B:HIS245 3.6 26.2 1.0
N B:HIS245 3.7 25.1 1.0
O B:GLY243 3.8 21.6 1.0
CB B:THR246 3.9 20.2 1.0
CA B:HIS245 4.0 24.9 1.0
N B:GLY243 4.0 21.1 1.0
N B:ARG244 4.0 23.4 1.0
C B:GLY295 4.1 16.7 1.0
O B:GLY295 4.1 16.3 1.0
C B:HIS245 4.2 23.7 1.0
CA B:THR246 4.3 21.3 1.0
O B:HOH65 4.5 22.5 1.0
C B:GLY296 4.5 17.2 1.0
C B:ARG244 4.6 25.1 1.0
CG B:HIS245 4.7 30.7 1.0
ND1 B:HIS245 4.8 36.5 1.0
CA B:ARG244 4.9 24.5 1.0

Reference:

Q.Li, C.R.So, A.Fegan, V.Cody, M.Sarikaya, D.A.Vallera, C.R.Wagner. Chemically Self-Assembled Antibody Nanorings (Csans): Design and Characterization of An Anti-CD3 Igm Biomimetic. J.Am.Chem.Soc. V. 132 17247 2010.
ISSN: ISSN 0002-7863
PubMed: 21077608
DOI: 10.1021/JA107153A
Page generated: Sun Jul 21 01:36:05 2024

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