Bromine in PDB 7loc: T4 Lysozyme Mutant L99A in Complex with 1-Bromanyl-4-Fluoranyl-Benzene

Enzymatic activity of T4 Lysozyme Mutant L99A in Complex with 1-Bromanyl-4-Fluoranyl-Benzene

All present enzymatic activity of T4 Lysozyme Mutant L99A in Complex with 1-Bromanyl-4-Fluoranyl-Benzene:
3.2.1.17;

Protein crystallography data

The structure of T4 Lysozyme Mutant L99A in Complex with 1-Bromanyl-4-Fluoranyl-Benzene, PDB code: 7loc was solved by A.S.Kamenik, I.Singh, P.Lak, T.E.Balius, K.R.Liedl, B.K.Shoichet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	52.19 / 1.16
*Space group*	P 3₂ 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	60.266, 60.266, 96.411, 90, 90, 120
*R / R_free (%)*	19.8 / 20.8

Other elements in 7loc:

The structure of T4 Lysozyme Mutant L99A in Complex with 1-Bromanyl-4-Fluoranyl-Benzene also contains other interesting chemical elements:

Fluorine

(F)

1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the T4 Lysozyme Mutant L99A in Complex with 1-Bromanyl-4-Fluoranyl-Benzene (pdb code 7loc). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the T4 Lysozyme Mutant L99A in Complex with 1-Bromanyl-4-Fluoranyl-Benzene, PDB code: 7loc:

Bromine binding site 1 out of 1 in 7loc

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Bromine Binding Sites List in 7loc

Bromine binding site 1 out of 1 in the T4 Lysozyme Mutant L99A in Complex with 1-Bromanyl-4-Fluoranyl-Benzene

Mono view

Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of T4 Lysozyme Mutant L99A in Complex with 1-Bromanyl-4-Fluoranyl-Benzene within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Br204 b:76.5 occ:1.00	BR06	A:Y87204	0.0	76.5	1.0
	C05	A:Y87204	1.9	26.2	1.0
	C04	A:Y87204	2.9	25.9	1.0
	C07	A:Y87204	2.9	24.6	1.0
	SD	A:MET102	3.3	14.4	1.0
	CZ	A:PHE153	3.7	12.5	1.0
	CG1	A:VAL111	3.7	20.9	0.4
	CE2	A:PHE153	4.1	12.8	1.0
	CD2	A:LEU118	4.1	19.4	1.0
	C03	A:Y87204	4.2	24.7	1.0
	C08	A:Y87204	4.2	18.4	1.0
	CA	A:ALA99	4.3	10.4	1.0
	CD1	A:LEU121	4.3	14.0	1.0
	CE	A:MET102	4.3	15.9	1.0
	CG	A:MET102	4.4	11.2	1.0
	CB	A:MET102	4.4	10.6	1.0
	CB	A:ALA99	4.4	11.7	1.0
	CE1	A:PHE153	4.7	13.4	1.0
	C02	A:Y87204	4.7	20.4	1.0
	O	A:ALA99	4.8	10.4	1.0

Reference:

A.S.Kamenik, I.Singh, P.Lak, T.E.Balius, K.R.Liedl, B.K.Shoichet. Ligand Discovery to Find the Key to Opening: Testing Molecular Dynamics Based Energy Penalties For Flexible Receptor Docking To Be Published.

Page generated: Thu Jul 11 04:04:12 2024

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