Iodine in PDB 7lod: T4 Lysozyme Mutant L99A in Complex with 1-Fluoranyl-4-Iodanyl-Benzene

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

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

Protein crystallography data

The structure of T4 Lysozyme Mutant L99A in Complex with 1-Fluoranyl-4-Iodanyl-Benzene, PDB code: 7lod 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)*	45.84 / 1.02
*Space group*	P 3₂ 2 1
*Cell size a, b, c (Å), α, β, γ (°)*	60.209, 60.209, 96.185, 90, 90, 120
*R / R_free (%)*	21.2 / 21.4

Other elements in 7lod:

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

Fluorine

(F)

1 atom

Iodine Binding Sites:

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

Iodine binding site 1 out of 1 in 7lod

Go back to

Iodine Binding Sites List in 7lod

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

Mono view

Stereo pair view

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

probe	atom	residue	distance (Å)	B	Occ
A:I201 b:84.0 occ:1.00	I06	A:Y8D201	0.0	84.0	1.0
	C05	A:Y8D201	2.1	27.2	1.0
	C07	A:Y8D201	3.0	28.4	1.0
	C04	A:Y8D201	3.0	27.0	1.0
	O	A:HOH404	3.1	24.1	1.0
	SD	A:MET102	3.2	14.6	1.0
	CG1	A:VAL111	3.6	16.7	0.6
	CZ	A:PHE153	3.7	13.3	1.0
	CA	A:ALA99	4.0	11.1	1.0
	CB	A:MET102	4.1	11.3	1.0
	CE2	A:PHE153	4.1	14.2	1.0
	CG	A:MET102	4.1	12.0	1.0
	CE	A:MET102	4.2	15.3	1.0
	CB	A:ALA99	4.3	12.5	1.0
	C03	A:Y8D201	4.3	25.0	1.0
	C08	A:Y8D201	4.3	24.5	1.0
	CD2	A:LEU118	4.4	19.0	1.0
	O	A:ALA99	4.5	11.2	1.0
	CD1	A:LEU121	4.6	14.8	1.0
	CE1	A:PHE153	4.7	14.4	1.0
	C	A:ALA99	4.8	11.4	1.0
	C02	A:Y8D201	4.8	18.5	1.0
	N	A:ALA99	4.9	10.0	1.0
	CB	A:VAL111	5.0	14.5	0.6

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: Mon Aug 12 01:30:23 2024

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