Chlorine in PDB 4whr: Anhydride Reaction Intermediate Trapped in Protocatechuate 3,4- Dioxygenase (Pseudomonas Putida) at pH 8.5

Enzymatic activity of Anhydride Reaction Intermediate Trapped in Protocatechuate 3,4- Dioxygenase (Pseudomonas Putida) at pH 8.5

All present enzymatic activity of Anhydride Reaction Intermediate Trapped in Protocatechuate 3,4- Dioxygenase (Pseudomonas Putida) at pH 8.5:
1.13.11.3;

Protein crystallography data

The structure of Anhydride Reaction Intermediate Trapped in Protocatechuate 3,4- Dioxygenase (Pseudomonas Putida) at pH 8.5, PDB code: 4whr was solved by C.J.Knoot, J.D.Lipscomb, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	31.47 / 1.58
*Space group*	I 2 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	128.437, 140.644, 168.291, 90.00, 90.00, 90.00
*R / R_free (%)*	14.8 / 19.2

Other elements in 4whr:

The structure of Anhydride Reaction Intermediate Trapped in Protocatechuate 3,4- Dioxygenase (Pseudomonas Putida) at pH 8.5 also contains other interesting chemical elements:

Fluorine	(F)	15 atoms
Iron	(Fe)	3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Anhydride Reaction Intermediate Trapped in Protocatechuate 3,4- Dioxygenase (Pseudomonas Putida) at pH 8.5 (pdb code 4whr). 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 Anhydride Reaction Intermediate Trapped in Protocatechuate 3,4- Dioxygenase (Pseudomonas Putida) at pH 8.5, PDB code: 4whr:

Chlorine binding site 1 out of 1 in 4whr

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Chlorine Binding Sites List in 4whr

Chlorine binding site 1 out of 1 in the Anhydride Reaction Intermediate Trapped in Protocatechuate 3,4- Dioxygenase (Pseudomonas Putida) at pH 8.5

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Anhydride Reaction Intermediate Trapped in Protocatechuate 3,4- Dioxygenase (Pseudomonas Putida) at pH 8.5 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
F:Cl604 b:54.5 occ:1.00	NH2	F:ARG409	3.0	27.8	1.0
	O	F:HOH857	3.4	41.0	1.0
	NH1	F:ARG409	3.4	27.6	1.0
	CA	F:PRO421	3.6	24.1	1.0
	CZ	F:ARG409	3.7	24.7	1.0
	N	F:PRO421	4.1	24.4	1.0
	CB	F:LEU419	4.1	25.1	1.0
	CB	F:PRO421	4.2	27.2	1.0
	O	F:ASP420	4.4	24.1	1.0
	C	F:ASP420	4.4	22.1	1.0
	CD1	F:LEU419	4.4	32.7	1.0
	C	F:PRO421	4.7	24.6	1.0
	O	F:PRO421	4.8	29.0	1.0
	CD	F:PRO421	4.9	27.2	1.0
	CG	F:LEU419	4.9	27.5	1.0
	NE	F:ARG409	5.0	24.3	1.0

Reference:

C.J.Knoot, V.M.Purpero, J.D.Lipscomb. Crystal Structures of Alkylperoxo and Anhydride Intermediates in An Intradiol Ring-Cleaving Dioxygenase. Proc.Natl.Acad.Sci.Usa V. 112 388 2015.
ISSN: ESSN 1091-6490
PubMed: 25548185
DOI: 10.1073/PNAS.1419118112

Page generated: Fri Jul 26 02:54:19 2024

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