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Iodine in PDB 3dn8: Iodopentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant (Seleno Version)

Enzymatic activity of Iodopentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant (Seleno Version)

All present enzymatic activity of Iodopentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant (Seleno Version):
3.2.1.17;

Protein crystallography data

The structure of Iodopentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant (Seleno Version), PDB code: 3dn8 was solved by L.Liu, B.W.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.89 / 1.70
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 60.031, 60.031, 95.956, 90.00, 90.00, 120.00
R / Rfree (%) 19.6 / 22.3

Other elements in 3dn8:

The structure of Iodopentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant (Seleno Version) also contains other interesting chemical elements:

Fluorine (F) 5 atoms
Chlorine (Cl) 1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the Iodopentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant (Seleno Version) (pdb code 3dn8). 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 Iodopentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant (Seleno Version), PDB code: 3dn8:

Iodine binding site 1 out of 1 in 3dn8

Go back to Iodine Binding Sites List in 3dn8
Iodine binding site 1 out of 1 in the Iodopentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant (Seleno Version)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Iodopentafluorobenzene Binding in the Hydrophobic Cavity of T4 Lysozyme L99A Mutant (Seleno Version) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I900

b:19.2
occ:1.00
I1 A:IBF900 0.0 19.2 1.0
C1 A:IBF900 2.1 19.4 1.0
SE A:MSE102 3.0 14.5 1.0
C2 A:IBF900 3.0 19.3 1.0
C6 A:IBF900 3.1 19.6 1.0
F2 A:IBF900 3.1 19.1 1.0
F6 A:IBF900 3.2 19.9 1.0
CB A:MSE102 3.7 10.8 1.0
CZ A:PHE153 3.9 11.2 1.0
CG A:MSE102 3.9 11.3 1.0
CE A:MSE102 3.9 13.6 1.0
CE2 A:PHE153 4.1 11.5 1.0
CA A:ALA99 4.1 8.5 1.0
CG1 A:VAL111 4.2 27.9 1.0
CD2 A:LEU118 4.2 16.4 1.0
C5 A:IBF900 4.4 19.4 1.0
C3 A:IBF900 4.4 19.4 1.0
O A:ALA99 4.4 9.0 1.0
CB A:ALA99 4.6 8.7 1.0
C A:ALA99 4.8 8.7 1.0
CD1 A:LEU121 4.9 11.6 1.0
O A:ALA98 4.9 8.4 1.0
C4 A:IBF900 4.9 19.6 1.0

Reference:

L.Liu, W.A.Baase, B.W.Matthews. Halogenated Benzenes Bound Within A Non-Polar Cavity in T4 Lysozyme Provide Examples of I...S and I...Se Halogen-Bonding. J.Mol.Biol. V. 385 595 2009.
ISSN: ISSN 0022-2836
PubMed: 19014950
DOI: 10.1016/J.JMB.2008.10.086
Page generated: Sun Aug 11 15:00:32 2024

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