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Cadmium in PDB 6rps: X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment

Enzymatic activity of X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment

All present enzymatic activity of X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment:
4.2.1.1;

Protein crystallography data

The structure of X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment, PDB code: 6rps was solved by V.Alterio, D.Esposito, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.65 / 2.79
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 77.335, 222.165, 266.988, 90.00, 90.00, 90.00
R / Rfree (%) 20.3 / 23.1

Other elements in 6rps:

The structure of X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Zinc (Zn) 2 atoms

Cadmium Binding Sites:

The binding sites of Cadmium atom in the X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment (pdb code 6rps). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 4 binding sites of Cadmium where determined in the X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment, PDB code: 6rps:
Jump to Cadmium binding site number: 1; 2; 3; 4;

Cadmium binding site 1 out of 4 in 6rps

Go back to Cadmium Binding Sites List in 6rps
Cadmium binding site 1 out of 4 in the X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd304

b:88.6
occ:1.00
OE1 A:GLU183 2.4 69.4 1.0
OE2 A:GLU187 2.4 86.5 1.0
OE1 A:GLU187 2.4 93.3 1.0
OE2 A:GLU183 2.4 71.6 1.0
CD A:GLU187 2.7 82.6 1.0
CD A:GLU183 2.8 59.4 1.0
CG A:GLU187 4.3 72.4 1.0
CG A:GLU183 4.3 52.6 1.0

Cadmium binding site 2 out of 4 in 6rps

Go back to Cadmium Binding Sites List in 6rps
Cadmium binding site 2 out of 4 in the X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd306

b:50.9
occ:0.50
NE2 A:HIS34 2.3 34.9 1.0
ND1 B:HIS103 2.3 63.7 1.0
OD1 B:ASP102 2.4 49.6 1.0
OD2 B:ASP102 2.4 45.2 1.0
OD1 A:ASP36 2.4 45.0 1.0
CD2 A:HIS34 2.6 30.9 1.0
CG B:ASP102 2.7 44.1 1.0
CE1 B:HIS103 3.1 70.1 1.0
CG A:ASP36 3.3 33.7 1.0
CG B:HIS103 3.4 59.2 1.0
CE1 A:HIS34 3.5 33.1 1.0
CB B:HIS103 3.9 49.6 1.0
CG A:HIS34 3.9 29.6 1.0
CB A:ASP36 3.9 30.9 1.0
CB B:ASP102 4.1 42.2 1.0
OD2 A:ASP36 4.1 34.1 1.0
NE2 B:HIS103 4.3 68.0 1.0
ND1 A:HIS34 4.3 31.8 1.0
CD2 B:HIS103 4.5 60.6 1.0
CA B:ASP102 4.7 43.1 1.0
C B:ASP102 4.9 42.1 1.0
N B:HIS103 5.0 39.5 1.0

Cadmium binding site 3 out of 4 in 6rps

Go back to Cadmium Binding Sites List in 6rps
Cadmium binding site 3 out of 4 in the X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd307

b:35.1
occ:0.50
NE2 B:HIS34 2.2 32.5 1.0
O A:HOH402 2.3 23.9 1.0
OD2 A:ASP102 2.4 46.6 1.0
OD1 B:ASP36 2.4 42.1 1.0
OD2 B:ASP36 2.4 42.8 1.0
OD1 A:ASP102 2.4 38.9 1.0
CG A:ASP102 2.5 41.1 1.0
CG B:ASP36 2.7 40.4 1.0
CD2 B:HIS34 3.0 30.2 1.0
CE1 B:HIS34 3.3 33.0 1.0
CB A:ASP102 3.7 36.2 1.0
CB B:ASP36 4.2 36.7 1.0
CG2 B:ILE37 4.2 23.4 1.0
CG B:HIS34 4.3 30.2 1.0
ND1 B:HIS34 4.4 33.7 1.0
CA A:ASP102 4.8 33.1 1.0

Cadmium binding site 4 out of 4 in 6rps

Go back to Cadmium Binding Sites List in 6rps
Cadmium binding site 4 out of 4 in the X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd303

b:64.1
occ:1.00
OE2 B:GLU183 2.4 57.9 1.0
OE2 B:GLU187 2.4 67.1 1.0
OE1 B:GLU187 2.4 68.6 1.0
OE1 B:GLU183 2.4 56.7 1.0
CD B:GLU187 2.7 59.0 1.0
CD B:GLU183 2.8 48.7 1.0
CG B:GLU187 4.3 49.8 1.0
CG B:GLU183 4.3 39.7 1.0

Reference:

V.Alterio, M.Kellner, D.Esposito, F.Liesche-Starnecker, S.Bua, C.T.Supuran, S.M.Monti, R.Zeidler, G.De Simone. Biochemical and Structural Insights Into Carbonic Anhydrase XII/FAB6A10 Complex. J.Mol.Biol. 2019.
ISSN: ESSN 1089-8638
PubMed: 31682835
DOI: 10.1016/J.JMB.2019.10.022
Page generated: Sat Dec 12 08:29:11 2020

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