Iodine in PDB 6k9x: Crystal Structure Analysis of Protein

All present enzymatic activity of Crystal Structure Analysis of Protein:
3.2.1.8;

The structure of Crystal Structure Analysis of Protein, PDB code: 6k9x was solved by C.Li, Q.Wan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.96 / 1.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.597, 58.268, 70.239, 90, 90, 90
R / Rfree (%)	13 / 14.1

The binding sites of Iodine atom in the Crystal Structure Analysis of Protein (pdb code 6k9x). 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 Analysis of Protein, PDB code: 6k9x:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure Analysis of Protein


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure Analysis of Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I201 b:12.7 occ:1.00 H A:ASN82 2.8 13.5 1.0 HD13 A:ILE129 3.2 19.8 1.0 HB2 A:LEU84 3.3 13.1 1.0 HB3 A:ARG81 3.4 14.5 1.0 N A:ASN82 3.6 11.2 1.0 HG21 A:ILE129 3.6 19.4 1.0 HA A:ARG81 3.7 12.8 1.0 O A:HOH418 3.7 25.4 1.0 HD13 A:LEU84 3.8 14.9 1.0 HB2 A:ASN82 4.0 14.8 1.0 HG2 A:ARG81 4.0 17.4 1.0 HA A:ASN82 4.0 13.5 1.0 CB A:ARG81 4.1 12.1 1.0 CD1 A:ILE129 4.1 16.5 1.0 CA A:ARG81 4.2 10.7 1.0 CB A:LEU84 4.2 10.9 1.0 H A:LEU84 4.3 12.3 1.0 CA A:ASN82 4.3 11.3 1.0 HD11 A:ILE129 4.4 19.8 1.0 C A:ARG81 4.4 10.5 1.0 N A:LEU84 4.5 10.2 1.0 CG A:ARG81 4.5 14.5 1.0 HA A:LEU84 4.5 12.2 1.0 HD22 A:LEU84 4.6 14.3 1.0 CG2 A:ILE129 4.6 16.2 1.0 HD3 A:ARG81 4.6 21.7 1.0 HD12 A:ILE129 4.6 19.8 1.0 CD1 A:LEU84 4.6 12.4 1.0 CB A:ASN82 4.6 12.4 1.0 CA A:LEU84 4.7 10.2 1.0 HG23 A:ILE129 4.8 19.4 1.0 HD12 A:LEU84 4.8 14.9 1.0 HB3 A:LEU84 4.8 13.1 1.0 CG A:LEU84 4.9 11.7 1.0 HG12 A:ILE129 4.9 19.1 1.0 HB2 A:ARG81 4.9 14.5 1.0

Iodine binding site 2 out of 3 in the Crystal Structure Analysis of Protein


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure Analysis of Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I202 b:16.5 occ:0.48 HA2 A:GLY130 3.1 20.9 1.0 HB3 A:PRO126 3.2 18.9 1.0 H52 B:XYP2 3.4 15.1 1.0 H A:SER127 3.4 14.3 0.9 HA A:PRO126 3.4 17.1 1.0 H1 B:XYP3 3.4 17.5 1.0 H3 B:XYP3 3.5 24.4 1.0 O A:SER127 3.9 12.8 0.9 CA A:GLY130 4.0 17.4 1.0 CB A:PRO126 4.0 15.7 1.0 O2 B:XYP3 4.1 20.6 1.0 CA A:PRO126 4.1 14.2 1.0 N A:SER127 4.1 11.9 0.9 C5 B:XYP2 4.2 12.6 1.0 H A:GLY130 4.3 20.2 1.0 H51 B:XYP2 4.3 15.1 1.0 C1 B:XYP3 4.3 14.6 1.0 C3 B:XYP3 4.3 20.4 1.0 C A:GLY130 4.4 17.3 1.0 H51 B:XYP3 4.4 24.3 1.0 HE1 A:TRP18 4.5 16.8 1.0 C2 B:XYP3 4.5 19.4 1.0 HB2 A:PRO126 4.6 18.9 1.0 HG3 A:PRO126 4.6 20.8 1.0 HA3 A:GLY130 4.6 20.9 1.0 N A:GLY130 4.6 16.8 1.0 C A:PRO126 4.7 12.9 1.0 N A:THR131 4.7 17.0 1.0 H A:THR131 4.7 20.4 1.0 HO3 B:XYP3 4.8 31.9 1.0 HO2 B:XYP3 4.8 24.8 1.0 O A:GLY130 4.9 19.3 1.0 CG A:PRO126 4.9 17.4 1.0 C A:SER127 4.9 12.6 0.9 O A:HOH309 4.9 38.5 1.0

Iodine binding site 3 out of 3 in the Crystal Structure Analysis of Protein


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure Analysis of Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:I203 b:20.6 occ:0.46 HE A:ARG119 3.1 28.5 1.0 HE1 A:TYR135 3.3 20.8 1.0 HA A:THR120 3.3 11.9 1.0 O A:HOH310 3.5 39.2 1.0 HB2 A:GLN121 3.5 19.1 1.0 HG2 A:ARG119 3.5 17.2 1.0 HD1 A:TYR135 3.8 17.8 1.0 NE A:ARG119 3.9 23.8 1.0 O A:ARG119 4.0 11.7 1.0 C A:THR120 4.0 10.6 1.0 CA A:THR120 4.0 9.9 1.0 CE1 A:TYR135 4.0 17.3 1.0 O A:HOH344 4.2 18.1 1.0 N A:GLN121 4.2 11.6 1.0 HH21 A:ARG119 4.3 35.8 1.0 CB A:GLN121 4.3 15.9 1.0 HB3 A:GLN121 4.3 19.1 1.0 CG A:ARG119 4.3 14.3 1.0 C A:ARG119 4.3 9.6 1.0 CD1 A:TYR135 4.3 14.8 1.0 HD2 A:ARG119 4.3 23.1 1.0 O A:THR120 4.3 10.6 1.0 H A:GLN121 4.4 13.9 1.0 N A:THR120 4.4 9.7 1.0 CD A:ARG119 4.4 19.2 1.0 HB3 A:ARG119 4.5 14.2 1.0 O A:HOH450 4.6 20.4 1.0 CA A:GLN121 4.9 13.4 1.0 CZ A:ARG119 4.9 28.3 1.0 CB A:ARG119 4.9 11.9 1.0 NH2 A:ARG119 4.9 29.8 1.0

Q.Wan, C.Li, Q.Wan. N/A N/A.
ISSN: ESSN 1399-0047
PubMed: 24419374
DOI: 10.1107/S1399004713023626