Zinc 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:

Cadmium (Cd) 4 atoms
Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the X-Ray Crystal Structure of Carbonic Anhydrase XII Complexed with A Theranostic Monoclonal Antibody Fragment, PDB code: 6rps:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 6rps

Go back to Zinc Binding Sites List in 6rps
Zinc binding site 1 out of 2 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 Zinc with other atoms in the Zn 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:Zn301

b:17.5
occ:1.00
O A:HOH404 2.0 15.3 1.0
NE2 A:HIS94 2.0 23.0 1.0
ND1 A:HIS119 2.0 22.4 1.0
NE2 A:HIS96 2.0 21.8 1.0
OXT A:ACT302 2.1 22.1 1.0
CE1 A:HIS119 2.9 24.6 1.0
C A:ACT302 2.9 24.5 1.0
CD2 A:HIS94 3.0 26.4 1.0
CE1 A:HIS94 3.0 25.2 1.0
CE1 A:HIS96 3.0 22.3 1.0
O A:ACT302 3.0 25.7 1.0
CD2 A:HIS96 3.1 23.4 1.0
CG A:HIS119 3.2 23.0 1.0
OG1 A:THR199 3.5 23.4 1.0
CB A:HIS119 3.6 22.8 1.0
OE1 A:GLU106 3.8 25.1 1.0
NE2 A:HIS119 4.1 24.4 1.0
ND1 A:HIS94 4.1 25.7 1.0
CG A:HIS94 4.2 24.6 1.0
ND1 A:HIS96 4.2 21.5 1.0
CG A:HIS96 4.2 22.1 1.0
CD2 A:HIS119 4.2 23.6 1.0
CH3 A:ACT302 4.3 25.2 1.0
CD A:GLU106 4.8 22.9 1.0
CB A:THR199 4.9 23.5 1.0

Zinc binding site 2 out of 2 in 6rps

Go back to Zinc Binding Sites List in 6rps
Zinc binding site 2 out of 2 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 Zinc with other atoms in the Zn 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
B:Zn301

b:15.0
occ:1.00
O B:HOH401 2.0 12.9 1.0
NE2 B:HIS94 2.0 17.4 1.0
ND1 B:HIS119 2.0 17.6 1.0
NE2 B:HIS96 2.1 17.0 1.0
OXT B:ACT302 2.1 21.5 1.0
CE1 B:HIS119 2.9 17.6 1.0
C B:ACT302 3.0 26.3 1.0
CE1 B:HIS94 3.0 17.4 1.0
CD2 B:HIS94 3.0 19.2 1.0
CE1 B:HIS96 3.0 17.3 1.0
CD2 B:HIS96 3.1 17.6 1.0
CG B:HIS119 3.1 18.1 1.0
O B:ACT302 3.2 28.2 1.0
OG1 B:THR199 3.6 22.2 1.0
CB B:HIS119 3.6 18.2 1.0
OE1 B:GLU106 3.9 20.5 1.0
NE2 B:HIS119 4.1 16.9 1.0
ND1 B:HIS94 4.1 18.1 1.0
CG B:HIS94 4.2 18.8 1.0
ND1 B:HIS96 4.2 18.0 1.0
CD2 B:HIS119 4.2 17.7 1.0
CG B:HIS96 4.3 18.7 1.0
CH3 B:ACT302 4.3 27.6 1.0
CD B:GLU106 4.8 21.9 1.0
CB B:THR199 4.9 22.6 1.0
CH2 B:TRP209 5.0 19.4 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: Wed Dec 16 12:41:18 2020

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