Iodine in PDB 4tt0: Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide

All present enzymatic activity of Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide:
3.4.19.12;

The structure of Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide, PDB code: 4tt0 was solved by N.Scrima, S.Bressanelli, S.Roche, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.04 / 2.60
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	110.939, 110.939, 154.930, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 24.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 42;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide (pdb code 4tt0). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 42 binding sites of Iodine where determined in the Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide, PDB code: 4tt0:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 42 in the Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I1801 b:57.7 occ:1.00 N A:LEU1710 3.6 49.8 1.0 CB A:LEU1710 3.8 49.5 1.0 N A:LEU1709 3.9 56.5 1.0 CA A:GLY1708 4.0 59.7 1.0 CB A:PHE1694 4.0 35.7 1.0 C A:PHE1694 4.0 51.8 1.0 C A:GLY1708 4.1 58.2 1.0 CG A:GLU1695 4.1 57.8 1.0 O A:PHE1694 4.1 37.1 1.0 N A:GLU1695 4.1 44.9 1.0 CA A:GLU1695 4.1 41.2 1.0 CA A:LEU1710 4.1 50.1 1.0 O A:SER1700 4.2 48.0 1.0 N A:THR1711 4.3 50.0 1.0 CG A:LEU1710 4.4 46.6 1.0 C A:LEU1710 4.5 60.4 1.0 OG1 A:THR1711 4.6 69.4 1.0 C A:LEU1709 4.6 57.9 1.0 CA A:ALA1701 4.7 57.8 1.0 C A:SER1700 4.7 41.4 1.0 CA A:LEU1709 4.7 55.6 1.0 CA A:PHE1694 4.7 43.8 1.0 CB A:GLU1695 4.7 44.5 1.0 O A:GLY1708 4.8 51.2 1.0 CD2 A:PHE1694 4.9 39.7 1.0 N A:ALA1702 4.9 54.4 1.0 CD1 A:LEU1710 4.9 54.7 1.0 CG A:PHE1694 5.0 46.5 1.0 N A:GLY1708 5.0 60.7 1.0 N A:ALA1701 5.0 51.5 1.0

Iodine binding site 2 out of 42 in the Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I1802 b:38.9 occ:0.49 I A:IOD1802 0.0 38.9 0.5 I A:IOD1802 1.9 48.2 0.5 CD1 A:LEU1628 3.6 49.9 1.0 CA A:ARG1625 4.0 39.6 1.0 CG A:ARG1624 4.2 46.1 1.0 N A:ARG1625 4.2 38.7 1.0 CB A:ARG1625 4.4 39.1 1.0 C A:ARG1624 4.5 39.6 1.0 CG A:LEU1628 4.5 39.6 1.0 O A:ARG1624 4.5 41.3 1.0 CB A:LEU1628 4.6 31.3 1.0 CG A:ARG1625 4.7 40.6 1.0 CB A:ARG1624 5.0 41.7 1.0

Iodine binding site 3 out of 42 in the Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I1802 b:48.2 occ:0.51 I A:IOD1802 0.0 48.2 0.5 I A:IOD1802 1.9 38.9 0.5 CG A:ARG1625 4.0 40.6 1.0 CB A:ARG1625 4.2 39.1 1.0 CA A:ARG1625 4.4 39.6 1.0 NH1 A:ARG1625 4.5 94.0 1.0 CD A:ARG1625 4.8 53.6 1.0 CZ A:ARG1625 5.0 81.2 1.0

Iodine binding site 4 out of 42 in the Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I1803 b:50.0 occ:0.50 I A:IOD1803 0.0 50.0 0.5 I A:IOD1803 1.9 91.1 0.5 CA A:ALA1620 3.9 37.9 1.0 CB A:ALA1620 4.1 37.1 1.0 CB A:GLU1623 4.3 30.7 1.0 CG A:GLU1623 4.5 56.6 1.0 O A:ALA1620 4.6 42.3 1.0 N A:ALA1620 4.7 33.3 1.0 C A:ALA1620 4.8 35.9 1.0

Iodine binding site 5 out of 42 in the Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I1803 b:91.1 occ:0.50 I A:IOD1803 0.0 91.1 0.5 I A:IOD1803 1.9 50.0 0.5 CG A:GLU1623 3.5 56.6 1.0 CB A:GLU1623 3.9 30.7 1.0 CD A:GLU1623 4.6 77.9 1.0 CA A:ALA1620 4.7 37.9 1.0 O A:LEU1619 4.9 46.3 1.0 OE1 A:GLU1623 5.0 67.7 1.0

Iodine binding site 6 out of 42 in the Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I1804 b:71.5 occ:0.73 O A:THR1696 3.6 66.1 1.0 C A:THR1696 3.6 36.6 1.0 N A:PRO1698 3.7 45.7 1.0 C A:HIS1697 3.8 38.1 1.0 N A:HIS1697 3.9 34.0 1.0 CB A:ALA1701 4.0 37.2 1.0 CA A:PRO1698 4.1 29.5 1.0 CD A:PRO1698 4.2 33.5 1.0 CA A:HIS1697 4.2 35.4 1.0 CA A:THR1696 4.2 42.7 1.0 O A:HIS1697 4.2 34.0 1.0 CB A:PRO1698 4.8 27.0 1.0 O A:GLU1695 4.9 49.7 1.0

Iodine binding site 7 out of 42 in the Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I1805 b:67.2 occ:0.60 O A:HOH1911 3.2 47.5 1.0 N A:ALA1659 3.7 37.4 1.0 CD1 B:LEU1699 3.8 30.8 1.0 CA A:SER1658 3.9 45.9 1.0 CD2 B:LEU1699 4.1 36.6 1.0 CB A:SER1658 4.1 45.5 1.0 C A:SER1658 4.3 41.3 1.0 CG B:LEU1699 4.5 46.3 1.0 OE1 A:GLU1660 4.5 78.6 1.0 CB A:ALA1659 4.5 35.2 1.0 CB A:LEU1633 4.7 34.0 1.0 O A:GLU1629 4.7 31.7 1.0 CA A:ALA1659 4.7 36.4 1.0 CB A:GLU1629 4.8 32.6 1.0 CD1 A:LEU1633 4.8 35.0 1.0 OE1 A:GLU1629 4.9 51.7 1.0 O A:ARG1657 4.9 44.2 1.0 CB B:LEU1699 5.0 31.3 1.0

Iodine binding site 8 out of 42 in the Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I1806 b:72.9 occ:0.63 CE A:LYS1641 3.6 48.7 1.0 CB A:ALA1650 3.8 41.8 1.0 CD A:LYS1641 4.1 44.1 1.0 CG A:LYS1641 4.1 42.2 1.0 CA A:ALA1650 4.3 53.9 1.0 O A:ALA1650 4.4 73.9 1.0 CG2 A:VAL1645 4.5 59.8 1.0 CB A:VAL1645 4.5 53.3 1.0 OD2 A:ASP1654 4.5 88.5 1.0 NZ A:LYS1641 4.7 65.2 1.0 CD2 A:LEU1653 4.7 46.3 1.0 C A:ALA1650 4.8 55.7 1.0 CG1 A:VAL1645 4.9 45.3 1.0

Iodine binding site 9 out of 42 in the Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I1807 b:67.6 occ:0.55 OE1 A:GLN1627 3.1 99.9 1.0 CD A:ARG1624 3.6 48.1 1.0 NH1 A:ARG1624 3.8 66.2 1.0 CA A:ARG1624 4.1 39.0 1.0 CD A:GLN1627 4.2 88.5 1.0 CB A:ARG1624 4.4 41.7 1.0 CB A:GLN1627 4.5 38.5 1.0 NE A:ARG1624 4.6 58.5 1.0 CG A:ARG1624 4.6 46.1 1.0 CZ A:ARG1624 4.6 60.9 1.0 N A:ARG1624 4.8 35.7 1.0 O A:ARG1624 4.8 41.3 1.0 CG A:GLN1627 5.0 47.8 1.0

Iodine binding site 10 out of 42 in the Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of Fragment 1600-1733 of HSV1 UL36 in the Presence of 1M Potassium Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I1808 b:76.7 occ:0.46 CB A:GLN1713 3.3 53.6 1.0 CG A:GLN1713 3.4 92.8 1.0 CA B:GLU1667 3.5 48.4 1.0 CB B:GLU1667 3.6 44.9 1.0 CG B:GLU1667 3.7 63.8 1.0 CG2 B:VAL1670 3.8 41.8 1.0 CB B:VAL1670 4.1 45.5 1.0 OE1 A:GLN1713 4.1 0.3 1.0 NH1 A:ARG1716 4.2 69.0 1.0 CD A:GLN1713 4.2 0.4 1.0 N B:GLU1667 4.2 43.7 1.0 CG1 B:VAL1670 4.4 43.4 1.0 CA A:GLN1713 4.5 70.0 1.0 CG1 B:VAL1666 4.6 37.0 1.0 O A:GLN1713 4.6 65.8 1.0 CD A:ARG1716 4.6 60.2 1.0 C B:GLU1667 4.6 58.5 1.0 O B:VAL1666 4.6 60.8 1.0 O B:GLU1667 4.6 67.8 1.0 C B:VAL1666 4.7 44.3 1.0 CG A:LEU1717 4.8 59.1 1.0 C A:GLN1713 5.0 70.1 1.0

N.Scrima, J.Lepault, Y.Boulard, D.Pasdeloup, S.Bressanelli, S.Roche. Insights Into Herpesvirus Tegument Organization From Structural Analyses of Hsv-1 UL36 Central 970 Residues J.Biol.Chem. 2015.
ISSN: ESSN 1083-351X