Fluorine in PDB 6w45: Crystal Structure of HAO1 in Complex with Biaryl Acid Inhibitor - Compound 3

Enzymatic activity of Crystal Structure of HAO1 in Complex with Biaryl Acid Inhibitor - Compound 3

All present enzymatic activity of Crystal Structure of HAO1 in Complex with Biaryl Acid Inhibitor - Compound 3:
1.1.3.15;

Protein crystallography data

The structure of Crystal Structure of HAO1 in Complex with Biaryl Acid Inhibitor - Compound 3, PDB code: 6w45 was solved by A.D.Ferguson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	38.30 / 1.70
*Space group*	I 4
*Cell size a, b, c (Å), α, β, γ (°)*	97.27, 97.27, 80.458, 90, 90, 90
*R / R_free (%)*	14.7 / 18.6

Other elements in 6w45:

The structure of Crystal Structure of HAO1 in Complex with Biaryl Acid Inhibitor - Compound 3 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of HAO1 in Complex with Biaryl Acid Inhibitor - Compound 3 (pdb code 6w45). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of HAO1 in Complex with Biaryl Acid Inhibitor - Compound 3, PDB code: 6w45:

Fluorine binding site 1 out of 1 in 6w45

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Fluorine Binding Sites List in 6w45

Fluorine binding site 1 out of 1 in the Crystal Structure of HAO1 in Complex with Biaryl Acid Inhibitor - Compound 3

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of HAO1 in Complex with Biaryl Acid Inhibitor - Compound 3 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F401 b:50.1 occ:1.00	F	A:SLG401	0.0	50.1	1.0
	C5	A:SLG401	1.4	39.9	0.8
	C6	A:SLG401	2.4	36.3	1.0
	C4	A:SLG401	2.4	35.4	1.0
	CE3	A:TRP110	3.4	34.4	1.0
	C3	A:SLG401	3.6	32.4	1.0
	C7	A:SLG401	3.6	30.9	1.0
	CZ3	A:TRP110	3.7	40.9	1.0
	CE2	A:TYR208	3.7	76.0	1.0
	CD2	A:TYR208	3.9	73.5	1.0
	O	A:HOH732	4.1	53.4	1.0
	C2	A:SLG401	4.1	31.1	1.0
	CD2	A:TRP110	4.3	32.6	1.0
	CG2	A:VAL209	4.3	46.3	1.0
	CH2	A:TRP110	4.7	34.9	1.0
	C8	A:SLG401	4.8	26.4	1.0
	CZ	A:TYR208	4.9	79.9	1.0
	CG	A:TRP110	4.9	30.4	1.0
	CB	A:TRP110	5.0	30.6	1.0

Reference:

A.D.Ferguson, A.D.Ferguson. N/A N/A.
ISSN: ISSN 0022-2623
DOI: 10.1021/ACS.JMEDCHEM.0C02271

Page generated: Tue Jul 15 17:01:15 2025

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