Fluorine in PDB 1ovj: T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE

Enzymatic activity of T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE

All present enzymatic activity of T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE:
3.2.1.17;

Protein crystallography data

The structure of T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE, PDB code: 1ovj was solved by B.Q.Wei, W.A.Baase, L.H.Weaver, B.W.Matthews, B.K.Shoichet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	13.00 / 2.00
*Space group*	P 3₂ 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	60.700, 60.700, 97.500, 90.00, 90.00, 120.00
*R / R_free (%)*	n/a / n/a

Other elements in 1ovj:

The structure of T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE (pdb code 1ovj). 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 T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE, PDB code: 1ovj:

Fluorine binding site 1 out of 1 in 1ovj

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Fluorine Binding Sites List in 1ovj

Fluorine binding site 1 out of 1 in the T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2- METHYL_ANILINE within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F408 b:35.5 occ:1.00	F8	A:FLM408	0.0	35.5	1.0
	C3	A:FLM408	1.3	25.0	1.0
	C7	A:FLM408	2.3	10.4	1.0
	C1	A:FLM408	2.4	14.9	1.0
	C4	A:FLM408	3.0	22.3	1.0
	CG1	A:ILE78	3.4	9.7	1.0
	C9	A:FLM408	3.6	25.7	1.0
	CD1	A:ILE78	3.6	8.8	1.0
	C2	A:FLM408	3.6	16.4	1.0
	CD1	A:LEU84	3.8	28.1	1.0
	CB	A:LEU84	3.9	9.1	1.0
	CD2	A:LEU84	4.0	21.6	1.0
	CG2	A:VAL103	4.0	21.1	1.0
	C5	A:FLM408	4.1	10.2	1.0
	CG2	A:ILE78	4.1	11.6	1.0
	CG	A:LEU84	4.1	29.4	1.0
	CB	A:ALA99	4.3	1.0	1.0
	CB	A:ILE78	4.4	13.7	1.0
	CA	A:LEU84	4.7	20.1	1.0
	O	A:ALA99	4.7	5.5	1.0
	N6	A:FLM408	4.7	38.0	1.0
	O	A:LEU84	4.8	11.2	1.0
	CG1	A:VAL111	4.9	62.1	1.0
	C	A:ALA99	5.0	4.9	1.0
	CB	A:TYR88	5.0	7.5	1.0
	CA	A:ALA99	5.0	1.4	1.0

Reference:

B.Q.Wei, L.H.Weaver, A.M.Ferrari, B.W.Matthews, B.K.Shoichet. Testing A Flexible-Receptor Docking Algorithm in A Model Binding Site J.Mol.Biol. V. 337 1161 2004.
ISSN: ISSN 0022-2836
PubMed: 15046985
DOI: 10.1016/J.JMB.2004.02.015

Page generated: Wed Jul 31 12:18:50 2024

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