Cadmium in PDB 1axs: Mature Oxy-Cope Catalytic Antibody with Hapten

The structure of Mature Oxy-Cope Catalytic Antibody with Hapten, PDB code: 1axs was solved by E.C.Mundorff, H.D.Ulrich, R.C.Stevens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.780, 81.500, 128.200, 90.00, 93.43, 90.00
R / Rfree (%)	20 / 30.5

The binding sites of Cadmium atom in the Mature Oxy-Cope Catalytic Antibody with Hapten (pdb code 1axs). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 8 binding sites of Cadmium where determined in the Mature Oxy-Cope Catalytic Antibody with Hapten, PDB code: 1axs:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Cadmium binding site 1 out of 8 in the Mature Oxy-Cope Catalytic Antibody with Hapten


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Mature Oxy-Cope Catalytic Antibody with Hapten within 5.0Å range: probe atom residue distance (Å) B Occ L:Cd212 b:39.5 occ:0.50 OD2 L:ASP167 2.4 62.1 1.0 OD1 L:ASP167 2.5 58.8 1.0 CG L:ASP167 2.8 55.1 1.0 CB L:LYS169 4.1 38.3 1.0 CB L:ASP167 4.3 39.1 1.0 N L:LYS169 4.4 35.6 1.0 O H:VAL163 4.6 32.9 1.0 N L:SER168 4.8 33.1 1.0 CA L:LYS169 4.9 36.5 1.0 CE1 H:HIS164 4.9 28.4 1.0 N H:GLY162 4.9 51.6 1.0

Cadmium binding site 2 out of 8 in the Mature Oxy-Cope Catalytic Antibody with Hapten


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Mature Oxy-Cope Catalytic Antibody with Hapten within 5.0Å range: probe atom residue distance (Å) B Occ L:Cd213 b:57.5 occ:1.00 OE1 L:GLU93 2.6 21.4 1.0 O L:HOH250 2.8 17.5 1.0 OE1 L:GLN27 3.0 35.2 1.0 OE2 L:GLU93 3.1 27.7 1.0 CD L:GLU93 3.2 24.9 1.0 NE2 L:GLN27 3.4 24.9 1.0 CD L:GLN27 3.6 29.0 1.0 CG L:GLU93 4.7 20.5 1.0 CD1 L:LEU2 4.8 12.5 1.0

Cadmium binding site 3 out of 8 in the Mature Oxy-Cope Catalytic Antibody with Hapten


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Mature Oxy-Cope Catalytic Antibody with Hapten within 5.0Å range: probe atom residue distance (Å) B Occ L:Cd214 b:27.4 occ:1.00 OE1 L:GLU143 2.4 9.3 1.0 OE2 L:GLU143 2.5 18.9 1.0 CD L:GLU143 2.8 14.5 1.0 O L:HOH229 2.9 27.4 1.0 CB L:PRO141 4.2 16.8 1.0 CG L:ARG142 4.3 34.0 1.0 CG L:GLU143 4.3 10.9 1.0 N L:ARG142 4.6 22.6 1.0 N L:GLU143 4.7 12.3 1.0 CB L:ARG142 4.9 24.4 1.0

Cadmium binding site 4 out of 8 in the Mature Oxy-Cope Catalytic Antibody with Hapten


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Mature Oxy-Cope Catalytic Antibody with Hapten within 5.0Å range: probe atom residue distance (Å) B Occ H:Cd1004 b:50.3 occ:0.50 O H:HOH1028 2.7 23.7 1.0 OG H:SER74 2.7 38.0 1.0 CB H:SER74 2.9 26.5 1.0 C H:SER74 3.6 27.6 1.0 O H:SER74 3.6 27.0 1.0 CA H:SER74 3.9 25.4 1.0 N H:SER75 4.1 28.9 1.0 OD2 H:ASP72 4.5 36.4 1.0 CB H:SER75 4.6 31.1 1.0 CA H:SER75 4.6 30.1 1.0 OD1 H:ASP72 4.8 44.6 1.0 N H:SER74 5.0 29.0 1.0

Cadmium binding site 5 out of 8 in the Mature Oxy-Cope Catalytic Antibody with Hapten


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Mature Oxy-Cope Catalytic Antibody with Hapten within 5.0Å range: probe atom residue distance (Å) B Occ H:Cd1005 b:85.4 occ:1.00 OD2 H:ASP208 2.5 40.0 1.0 CG H:ASP208 3.2 41.2 1.0 OD1 H:ASP208 3.3 40.1 1.0 CD H:LYS206 3.5 42.5 1.0 CG H:LYS206 3.6 41.3 1.0 OD1 H:ASN199 3.7 40.4 1.0 CB H:ASN197 4.1 32.1 1.0 O H:VAL207 4.3 40.4 1.0 CE H:LYS206 4.5 34.5 1.0 CG H:ASN199 4.5 44.8 1.0 ND2 H:ASN199 4.6 50.6 1.0 CG H:ASN197 4.7 30.0 1.0 ND2 H:ASN197 4.7 16.7 1.0 CB H:ASP208 4.7 42.1 1.0 CA H:ASN197 4.9 34.1 1.0

Cadmium binding site 6 out of 8 in the Mature Oxy-Cope Catalytic Antibody with Hapten


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of Mature Oxy-Cope Catalytic Antibody with Hapten within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd212 b:47.7 occ:0.50 O A:LEU201 3.0 53.5 1.0 O A:HIS198 3.2 41.6 1.0 C A:HIS198 3.7 36.3 1.0 N A:GLN199 4.1 38.5 1.0 C A:LEU201 4.1 50.6 1.0 N A:HIS198 4.1 38.1 1.0 CA A:GLN199 4.2 42.2 1.0 CA A:HIS198 4.5 36.6 1.0 CB A:LEU201 4.6 53.7 1.0 O A:SER202 4.6 48.3 1.0 N A:LEU201 4.6 49.9 1.0 CA A:LEU201 4.7 50.6 1.0 C A:SER202 4.7 44.7 1.0 O A:HOH252 4.7 53.8 1.0 C A:GLN199 4.7 37.4 1.0 CA A:SER203 4.8 38.0 1.0 N A:SER203 4.8 42.3 1.0 C A:THR197 4.9 44.9 1.0 OG1 A:THR197 4.9 47.8 1.0 C A:SER203 5.0 36.2 1.0

Cadmium binding site 7 out of 8 in the Mature Oxy-Cope Catalytic Antibody with Hapten


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 7 of Mature Oxy-Cope Catalytic Antibody with Hapten within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd213 b:55.7 occ:0.50 OH A:TYR49 2.8 29.4 1.0 OD2 A:ASP56 3.6 73.1 1.0 O A:LEU54 3.8 56.0 1.0 CZ A:TYR49 3.8 33.5 1.0 CE1 A:TYR49 4.1 34.7 1.0 CG A:ASP56 4.4 75.5 1.0 OD1 A:ASP56 4.7 74.1 1.0 C A:LEU54 4.9 53.7 1.0

Cadmium binding site 8 out of 8 in the Mature Oxy-Cope Catalytic Antibody with Hapten


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 8 of Mature Oxy-Cope Catalytic Antibody with Hapten within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd214 b:46.1 occ:1.00 OE1 A:GLU143 2.4 24.2 1.0 OE2 A:GLU143 2.6 30.9 1.0 CD A:GLU143 2.9 34.8 1.0 O A:HOH259 3.4 30.7 1.0 CB A:PRO141 4.1 43.3 1.0 CG A:ARG142 4.2 54.2 1.0 CG A:GLU143 4.4 38.9 1.0 N A:ARG142 4.5 39.1 1.0 N A:GLU143 4.7 38.5 1.0 CB A:ARG142 4.8 42.1 1.0

H.D.Ulrich, E.Mundorff, B.D.Santarsiero, E.M.Driggers, R.C.Stevens, P.G.Schultz. The Interplay Between Binding Energy and Catalysis in the Evolution of A Catalytic Antibody. Nature V. 389 271 1997.
ISSN: ISSN 0028-0836
PubMed: 9305839
DOI: 10.1038/38470