Iridium in PDB 6qfw: Human Carbonic Anhydrase II with Bound Ircp* Complex (Cofactor 9) to Generate An Artificial Transfer Hydrogenase (Athase)

Enzymatic activity of Human Carbonic Anhydrase II with Bound Ircp* Complex (Cofactor 9) to Generate An Artificial Transfer Hydrogenase (Athase)

All present enzymatic activity of Human Carbonic Anhydrase II with Bound Ircp* Complex (Cofactor 9) 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 9) to Generate An Artificial Transfer Hydrogenase (Athase), PDB code: 6qfw 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)*	40.95 / 1.20
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	42.232, 41.441, 72.374, 90.00, 104.36, 90.00
*R / R_free (%)*	16.2 / 17.8

Other elements in 6qfw:

The structure of Human Carbonic Anhydrase II with Bound Ircp* Complex (Cofactor 9) 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 9) to Generate An Artificial Transfer Hydrogenase (Athase) (pdb code 6qfw). This binding sites where shown within 5.0 Angstroms radius around Iridium atom.
In total 2 binding sites of Iridium where determined in the Human Carbonic Anhydrase II with Bound Ircp* Complex (Cofactor 9) to Generate An Artificial Transfer Hydrogenase (Athase), PDB code: 6qfw:
Jump to Iridium binding site number: 1; 2;

Iridium binding site 1 out of 2 in 6qfw

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Iridium Binding Sites List in 6qfw

Iridium binding site 1 out of 2 in the Human Carbonic Anhydrase II with Bound Ircp* Complex (Cofactor 9) 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 9) to Generate An Artificial Transfer Hydrogenase (Athase) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ir301 b:0.7 occ:0.60	IR1	A:JR8301	0.0	0.7	0.6
	N1	A:JR8301	2.0	0.0	0.6
	N2	A:JR8301	2.1	0.2	0.6
	C17	A:JR8301	2.1	0.1	0.6
	C13	A:JR8301	2.1	0.1	0.6
	C16	A:JR8301	2.1	0.0	0.6
	C14	A:JR8301	2.1	0.7	0.6
	C15	A:JR8301	2.1	0.0	0.6
	CL1	A:JR8301	2.4	0.2	0.6
	C5	A:JR8301	2.9	0.7	0.6
	C6	A:JR8301	2.9	0.9	0.6
	C1	A:JR8301	2.9	0.7	0.6
	C23	A:JR8301	3.2	76.1	0.6
	C22	A:JR8301	3.2	0.8	0.6
	C18	A:JR8301	3.3	0.2	0.6
	C19	A:JR8301	3.3	0.1	0.6
	C21	A:JR8301	3.3	0.1	0.6
	C20	A:JR8301	3.3	0.8	0.6
	C24	A:JR8301	4.1	56.5	0.6
	O3	A:JR8301	4.1	0.1	0.6
	CE1	A:PHE130	4.2	16.8	1.0
	C2	A:JR8301	4.2	0.1	0.6
	C4	A:JR8301	4.3	0.3	0.6
	C3	A:JR8301	4.7	0.0	0.6
	CD1	A:PHE130	4.8	14.2	1.0
	C25	A:JR8301	5.0	45.2	0.6

Iridium binding site 2 out of 2 in 6qfw

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Iridium Binding Sites List in 6qfw

Iridium binding site 2 out of 2 in the Human Carbonic Anhydrase II with Bound Ircp* Complex (Cofactor 9) 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 2 of Human Carbonic Anhydrase II with Bound Ircp* Complex (Cofactor 9) to Generate An Artificial Transfer Hydrogenase (Athase) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Ir304 b:0.5 occ:0.80	ND1	A:HIS4	4.4	56.6	1.0
	CG	A:HIS4	4.7	48.0	1.0
	CB	A:HIS4	4.8	37.8	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: Mon Aug 12 03:42:13 2024

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