Chlorine in PDB 8aj6: Cyanide-Bound [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi)

Enzymatic activity of Cyanide-Bound [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi)

All present enzymatic activity of Cyanide-Bound [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi):
1.12.7.2;

Protein crystallography data

The structure of Cyanide-Bound [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), PDB code: 8aj6 was solved by J.Duan, E.Hofmann, T.Happe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	47.62 / 1.50
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	90.18, 72.48, 103.71, 90, 98.01, 90
*R / R_free (%)*	17.5 / 19.9

Other elements in 8aj6:

The structure of Cyanide-Bound [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Iron	(Fe)	40 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Cyanide-Bound [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) (pdb code 8aj6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Cyanide-Bound [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi), PDB code: 8aj6:

Chlorine binding site 1 out of 1 in 8aj6

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Chlorine Binding Sites List in 8aj6

Chlorine binding site 1 out of 1 in the Cyanide-Bound [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi)

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cyanide-Bound [Fefe]-Hydrogenase I From Clostridium Pasteurianum (Cpi) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:Cl611 b:29.9 occ:1.00	O	B:HOH1199	2.9	36.7	1.0
	N	B:ALA406	3.4	21.6	1.0
	CB	B:ASP404	3.6	22.2	1.0
	CB	B:ALA406	3.6	23.7	1.0
	CD	B:PRO405	3.6	24.9	1.0
	N	B:PRO405	3.6	21.9	1.0
	CE	B:LYS264	3.7	32.6	1.0
	C	B:ASP404	3.9	24.8	1.0
	CE1	B:PHE266	4.0	21.4	1.0
	CA	B:ASP404	4.1	21.0	1.0
	O	B:HOH1238	4.1	36.5	1.0
	CA	B:ALA406	4.1	21.7	1.0
	CG	B:PRO405	4.1	29.9	1.0
	NZ	B:LYS264	4.2	41.4	1.0
	C	B:PRO405	4.4	22.8	1.0
	CZ	B:PHE266	4.5	20.1	1.0
	O	B:ASP404	4.5	22.9	1.0
	CA	B:PRO405	4.5	25.8	1.0
	CG	B:ASP404	4.6	27.4	1.0
	OD1	B:ASP404	4.7	33.4	1.0
	O	B:HOH1165	4.9	43.7	1.0

Reference:

J.Duan, A.Hemschemeier, D.J.Burr, S.T.Stripp, E.Hofmann, T.Happe. Cyanide Binding to [Fefe]-Hydrogenase Stabilizes the Alternative Configuration of the Proton Transfer Pathway. Angew.Chem.Int.Ed.Engl. 2022.
ISSN: ESSN 1521-3773
PubMed: 36464641
DOI: 10.1002/ANIE.202216903

Page generated: Sun Jul 13 09:07:51 2025

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