Chlorine in PDB 3pf7: Crystal Structure of Boxb with Malonate Bound to the Diiron Center

Enzymatic activity of Crystal Structure of Boxb with Malonate Bound to the Diiron Center

All present enzymatic activity of Crystal Structure of Boxb with Malonate Bound to the Diiron Center:
1.14.12.21;

Protein crystallography data

The structure of Crystal Structure of Boxb with Malonate Bound to the Diiron Center, PDB code: 3pf7 was solved by T.Weinert, L.J.Rather, G.Fuchs, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	46.86 / 1.90
*Space group*	C 2 2 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	112.790, 213.490, 137.190, 90.00, 90.00, 90.00
*R / R_free (%)*	18.2 / 21.7

Other elements in 3pf7:

The structure of Crystal Structure of Boxb with Malonate Bound to the Diiron Center also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Boxb with Malonate Bound to the Diiron Center (pdb code 3pf7). 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 Crystal Structure of Boxb with Malonate Bound to the Diiron Center, PDB code: 3pf7:

Chlorine binding site 1 out of 1 in 3pf7

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Chlorine Binding Sites List in 3pf7

Chlorine binding site 1 out of 1 in the Crystal Structure of Boxb with Malonate Bound to the Diiron Center

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Boxb with Malonate Bound to the Diiron Center within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl482 b:44.6 occ:1.00	HH21	A:ARG110	2.4	38.4	1.0
	HH11	A:ARG106	2.4	39.6	1.0
	HE	A:ARG110	2.6	33.8	1.0
	HA	A:SER107	2.8	34.1	1.0
	HB3	A:SER107	3.0	37.8	1.0
	HG2	A:ARG106	3.1	39.9	1.0
	NH1	A:ARG106	3.1	33.0	1.0
	NH2	A:ARG110	3.1	32.0	1.0
	HH12	A:ARG106	3.3	39.6	1.0
	HD3	A:ARG106	3.4	44.4	1.0
	NE	A:ARG110	3.4	28.1	1.0
	CA	A:SER107	3.5	28.4	1.0
	CB	A:SER107	3.6	31.5	1.0
	CZ	A:ARG110	3.7	39.7	1.0
	N	A:SER107	3.7	23.0	1.0
	HB2	A:SER107	3.8	37.8	1.0
	HH22	A:ARG110	3.8	38.4	1.0
	CG	A:ARG106	3.8	33.3	1.0
	HB3	A:ARG106	3.9	31.5	1.0
	CD	A:ARG106	4.0	37.0	1.0
	C	A:ARG106	4.0	21.6	1.0
	H	A:SER107	4.1	27.5	1.0
	O	A:HOH793	4.2	41.2	1.0
	CZ	A:ARG106	4.2	40.6	1.0
	O	A:ARG106	4.3	22.0	1.0
	CB	A:ARG106	4.3	26.3	1.0
	HB3	A:ARG110	4.4	25.3	1.0
	HB2	A:ARG110	4.5	25.3	1.0
	OD2	A:ASP168	4.5	27.1	1.0
	NE	A:ARG106	4.5	43.7	1.0
	CD	A:ARG110	4.6	27.0	1.0
	HD3	A:ARG110	4.6	32.3	1.0
	HD1	A:PHE165	4.6	30.4	1.0
	HG3	A:ARG106	4.6	39.9	1.0
	CB	A:ARG110	4.8	21.1	1.0
	HD2	A:ARG106	4.8	44.4	1.0
	CA	A:ARG106	4.9	18.6	1.0
	C	A:SER107	4.9	29.8	1.0
	OG	A:SER107	4.9	33.1	1.0
	O	A:HOH488	4.9	22.2	1.0

Reference:

L.J.Rather, T.Weinert, U.Demmer, E.Bill, W.Ismail, G.Fuchs, U.Ermler. Structure and Mechanism of the Diiron Benzoyl-Coenzyme A Epoxidase Boxb. J.Biol.Chem. V. 286 29241 2011.
ISSN: ISSN 0021-9258
PubMed: 21632537
DOI: 10.1074/JBC.M111.236893

Page generated: Sun Jul 21 02:20:40 2024

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