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Iridium in PDB 6qfx: Human Carbonic Anhydrase II with Bound Ircp* Complex (Cofactor 10) to Generate An Artificial Transfer Hydrogenase (Athase)

Enzymatic activity of Human Carbonic Anhydrase II with Bound Ircp* Complex (Cofactor 10) to Generate An Artificial Transfer Hydrogenase (Athase)

All present enzymatic activity of Human Carbonic Anhydrase II with Bound Ircp* Complex (Cofactor 10) to Generate An Artificial Transfer Hydrogenase (Athase):
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II with Bound Ircp* Complex (Cofactor 10) to Generate An Artificial Transfer Hydrogenase (Athase), PDB code: 6qfx was solved by J.G.Rebelein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.02 / 1.32
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.348, 41.587, 72.471, 90.00, 104.38, 90.00
R / Rfree (%) 17.2 / 19.7

Other elements in 6qfx:

The structure of Human Carbonic Anhydrase II with Bound Ircp* Complex (Cofactor 10) to Generate An Artificial Transfer Hydrogenase (Athase) also contains other interesting chemical elements:

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

Iridium Binding Sites:

The binding sites of Iridium atom in the Human Carbonic Anhydrase II with Bound Ircp* Complex (Cofactor 10) to Generate An Artificial Transfer Hydrogenase (Athase) (pdb code 6qfx). This binding sites where shown within 5.0 Angstroms radius around Iridium atom.
In total only one binding site of Iridium was determined in the Human Carbonic Anhydrase II with Bound Ircp* Complex (Cofactor 10) to Generate An Artificial Transfer Hydrogenase (Athase), PDB code: 6qfx:

Iridium binding site 1 out of 1 in 6qfx

Go back to Iridium Binding Sites List in 6qfx
Iridium binding site 1 out of 1 in the Human Carbonic Anhydrase II with Bound Ircp* Complex (Cofactor 10) to Generate An Artificial Transfer Hydrogenase (Athase)


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 1 of Human Carbonic Anhydrase II with Bound Ircp* Complex (Cofactor 10) to Generate An Artificial Transfer Hydrogenase (Athase) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ir301

b:41.9
occ:0.60
IR1 A:JR3301 0.0 41.9 0.6
N1 A:JR3301 2.0 40.6 1.0
N2 A:JR3301 2.1 44.1 1.0
C17 A:JR3301 2.1 41.2 0.6
C16 A:JR3301 2.1 42.9 0.6
C13 A:JR3301 2.1 42.4 0.6
C15 A:JR3301 2.1 42.3 0.6
C14 A:JR3301 2.1 42.7 0.6
CL1 A:JR3301 2.5 56.0 0.6
C1 A:JR3301 2.9 47.2 1.0
C5 A:JR3301 3.0 44.1 1.0
C6 A:JR3301 3.0 46.0 1.0
C19 A:JR3301 3.2 42.2 0.6
C18 A:JR3301 3.3 36.4 0.6
C23 A:JR3301 3.3 46.3 1.0
C22 A:JR3301 3.3 40.3 0.6
C21 A:JR3301 3.3 40.6 0.6
C20 A:JR3301 3.3 42.5 0.6
O3 A:JR3301 4.2 47.2 1.0
C2 A:JR3301 4.2 45.3 1.0
C24 A:JR3301 4.3 49.0 1.0
CE2 A:PHE130 4.3 25.9 1.0
C4 A:JR3301 4.4 46.9 1.0
C3 A:JR3301 4.8 51.2 1.0
CD2 A:PHE130 4.8 24.9 1.0

Reference:

J.G.Rebelein, Y.Cotelle, B.Garabedian, T.R.Ward. Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase As Host Protein. Acs Catalysis V. 9 4173 2019.
ISSN: ESSN 2155-5435
PubMed: 31080690
DOI: 10.1021/ACSCATAL.9B01006
Page generated: Sun Dec 13 22:40:47 2020

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