Iodine in PDB 6o43: Crystal Structure of A Lysin Protein From Staphylococcus Phage P68

The structure of Crystal Structure of A Lysin Protein From Staphylococcus Phage P68, PDB code: 6o43 was solved by J.Q.Truong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.73 / 2.08
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	61.397, 61.397, 101.606, 90.00, 90.00, 120.00
R / Rfree (%)	17.9 / 22.4

The binding sites of Iodine atom in the Crystal Structure of A Lysin Protein From Staphylococcus Phage P68 (pdb code 6o43). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Crystal Structure of A Lysin Protein From Staphylococcus Phage P68, PDB code: 6o43:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure of A Lysin Protein From Staphylococcus Phage P68


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 A Lysin Protein From Staphylococcus Phage P68 within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:83.8 occ:0.52 I3 A:I3C301 0.0 83.8 0.5 C6 A:I3C301 2.1 89.8 0.5 C5 A:I3C301 3.0 89.3 0.5 C1 A:I3C301 3.1 92.1 0.5 N13 A:I3C301 3.2 88.1 0.5 O A:ARG93 3.2 50.7 1.0 HN1A A:I3C301 3.3 0.7 0.5 C7 A:I3C301 3.3 92.8 0.5 HN13 A:I3C301 3.5 0.7 0.5 O9 A:I3C301 3.6 91.7 0.5 O A:GLY94 3.6 61.6 1.0 C A:GLY94 3.7 55.2 1.0 N A:ASP95 3.8 53.0 1.0 CA A:ASP95 3.8 54.5 1.0 O8 A:I3C301 3.9 91.5 0.5 CZ2 A:TRP46 4.0 39.4 1.0 C A:ASP95 4.0 52.5 1.0 CH2 A:TRP46 4.1 37.8 1.0 C A:ARG93 4.3 60.5 1.0 CE2 A:TRP46 4.3 47.7 1.0 C4 A:I3C301 4.3 92.5 0.5 C2 A:I3C301 4.4 91.4 0.5 N A:TYR96 4.4 44.8 1.0 CA A:GLY94 4.4 63.2 1.0 O A:ASP95 4.5 47.9 1.0 CZ3 A:TRP46 4.6 40.9 1.0 CB A:ALA92 4.6 55.3 1.0 N A:GLY94 4.7 55.5 1.0 CD2 A:TRP46 4.8 45.9 1.0 C3 A:I3C301 4.9 93.5 0.5 NE1 A:TRP46 4.9 41.2 1.0 CE3 A:TRP46 4.9 36.7 1.0

Iodine binding site 2 out of 3 in the Crystal Structure of A Lysin Protein From Staphylococcus Phage P68


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 A Lysin Protein From Staphylococcus Phage P68 within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:90.8 occ:0.52 I2 A:I3C301 0.0 90.8 0.5 C4 A:I3C301 2.1 92.5 0.5 C3 A:I3C301 3.0 93.5 0.5 C5 A:I3C301 3.0 89.3 0.5 O A:TRP46 3.0 46.4 1.0 C10 A:I3C301 3.2 92.5 0.5 N13 A:I3C301 3.2 88.1 0.5 HN13 A:I3C301 3.3 0.7 0.5 HN1A A:I3C301 3.6 0.7 0.5 O12 A:I3C301 3.6 91.9 0.5 O11 A:I3C301 3.7 90.3 0.5 CA A:TRP46 3.8 44.5 1.0 C A:TRP46 3.8 49.6 1.0 O A:HOH467 3.9 57.0 1.0 CB A:TRP46 4.1 38.0 1.0 CG A:TRP46 4.3 45.1 1.0 C6 A:I3C301 4.4 89.8 0.5 C2 A:I3C301 4.4 91.4 0.5 CD1 A:TRP46 4.4 42.4 1.0 O A:VAL45 4.8 45.7 1.0 C1 A:I3C301 4.9 92.1 0.5

Iodine binding site 3 out of 3 in the Crystal Structure of A Lysin Protein From Staphylococcus Phage P68


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 A Lysin Protein From Staphylococcus Phage P68 within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:88.5 occ:0.52 I1 A:I3C301 0.0 88.5 0.5 C2 A:I3C301 2.1 91.4 0.5 C1 A:I3C301 3.0 92.1 0.5 C3 A:I3C301 3.1 93.5 0.5 C7 A:I3C301 3.2 92.8 0.5 C10 A:I3C301 3.3 92.5 0.5 O8 A:I3C301 3.5 91.5 0.5 O A:HOH441 3.6 50.4 1.0 O11 A:I3C301 3.7 90.3 0.5 O12 A:I3C301 3.8 91.9 0.5 O9 A:I3C301 3.8 91.7 0.5 C6 A:I3C301 4.4 89.8 0.5 C4 A:I3C301 4.4 92.5 0.5 C5 A:I3C301 4.9 89.3 0.5

J.Q.Truong, S.Panjikar, L.Shearwin-Whyatt, J.B.Bruning, K.E.Shearwin. Combining Random Microseed Matrix Screening and the Magic Triangle For the Efficient Structure Solution of A Potential Lysin From Bacteriophage P68. Acta Crystallogr D Struct V. 75 670 2019BIOL.
ISSN: ISSN 2059-7983
PubMed: 31282476
DOI: 10.1107/S2059798319009008