Iodine in PDB 3i7t: Crystal Structure of RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis

The structure of Crystal Structure of RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis, PDB code: 3i7t was solved by K.G.Thakur, B.Gopal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.93
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	67.880, 67.880, 67.880, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 24.7

The binding sites of Iodine atom in the Crystal Structure of RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis (pdb code 3i7t). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 7 binding sites of Iodine where determined in the Crystal Structure of RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis, PDB code: 3i7t:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7;

Iodine binding site 1 out of 7 in the Crystal Structure of RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis


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 RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:I151 b:18.8 occ:0.30 CG2 A:VAL86 3.9 5.9 1.0 CD A:ARG47 4.0 13.8 1.0 CB A:GLN89 4.0 12.9 1.0 CA A:VAL86 4.1 6.0 1.0 CG A:GLN89 4.2 16.5 1.0 CB A:VAL86 4.4 5.7 1.0 CG A:ARG47 4.5 10.8 1.0 O A:GLU85 4.5 6.4 1.0 N A:VAL86 4.6 6.5 1.0 CG1 A:VAL86 4.6 5.8 1.0 CD A:GLN89 4.8 20.5 1.0 NH1 A:ARG47 4.8 17.4 1.0 O A:HOH160 4.8 13.6 1.0 C A:GLU85 4.8 7.2 1.0 NE2 A:GLN89 5.0 22.6 1.0

Iodine binding site 2 out of 7 in the Crystal Structure of RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis


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 RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:I152 b:14.6 occ:0.80 O A:HOH168 3.2 15.5 1.0 O A:HOH174 3.5 16.7 1.0 NE A:ARG22 3.6 14.1 1.0 O A:ARG52 4.0 5.9 1.0 CG2 A:ILE55 4.0 7.0 1.0 CB A:SER10 4.2 14.2 1.0 CD A:ARG22 4.2 12.0 1.0 CG A:ARG22 4.3 7.6 1.0 CB A:ALA56 4.3 4.5 1.0 N A:ALA56 4.3 5.2 1.0 CB A:ILE55 4.4 6.0 1.0 NH2 A:ARG22 4.4 13.6 1.0 CZ A:ARG22 4.4 15.0 1.0 CA A:ALA56 4.5 5.0 1.0 CB A:ARG52 4.7 4.9 1.0 CB A:ARG22 4.7 6.3 1.0 C A:ARG52 4.8 5.2 1.0 CA A:ARG52 4.8 5.1 1.0 OE1 A:GLN59 4.8 17.6 1.0 C A:ILE55 4.9 5.8 1.0

Iodine binding site 3 out of 7 in the Crystal Structure of RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis


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 RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:I153 b:31.5 occ:0.20 O A:HOH176 3.0 10.4 1.0 O A:HOH189 3.1 35.6 0.3 CG A:GLN59 3.8 11.8 1.0 CD A:GLN59 4.3 14.9 1.0 OE1 A:GLN59 4.7 17.6 1.0 I A:IOD156 4.8 4.1 0.2 NE2 A:GLN59 4.9 16.1 1.0

Iodine binding site 4 out of 7 in the Crystal Structure of RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis


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 RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:I154 b:2.0 occ:0.20 I A:IOD157 3.3 4.9 0.2 CB A:GLU13 4.4 18.7 1.0 OE1 A:GLU13 4.5 23.3 1.0 CG A:GLU13 4.8 20.5 1.0

Iodine binding site 5 out of 7 in the Crystal Structure of RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis


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 RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:I155 b:6.6 occ:0.20 CB A:GLU13 3.5 18.7 1.0 CG A:GLU13 3.6 20.5 1.0 N A:PHE14 4.0 18.1 1.0 C A:GLU13 4.0 18.2 1.0 O A:GLU13 4.2 18.4 1.0 CA A:PHE14 4.2 18.0 1.0 CA A:GLU13 4.4 18.4 1.0 CB A:ALA17 4.5 13.8 1.0 CB A:PHE14 4.8 18.4 1.0 CD2 A:PHE14 5.0 20.6 1.0

Iodine binding site 6 out of 7 in the Crystal Structure of RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis


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 RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:I156 b:4.1 occ:0.20 O A:HOH176 2.9 10.4 1.0 CA A:ILE55 4.0 6.1 1.0 O A:GLU54 4.2 7.1 1.0 CG1 A:ILE55 4.4 5.8 1.0 CG A:GLU54 4.4 9.5 1.0 N A:ILE55 4.4 5.8 1.0 C A:GLU54 4.5 6.2 1.0 O A:HOH188 4.7 6.2 1.0 CB A:ILE55 4.7 6.0 1.0 I A:IOD153 4.8 31.5 0.2 NH2 A:ARG51 4.9 31.5 0.0 CD A:GLU54 4.9 14.1 1.0 O A:ILE55 5.0 6.3 1.0

Iodine binding site 7 out of 7 in the Crystal Structure of RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis


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 RV2704, A Member of Highly Conserved Yjgf/YER057C/UK114 Family, From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:I157 b:4.9 occ:0.20 N A:GLU13 3.2 17.5 1.0 I A:IOD154 3.3 2.0 0.2 CB A:GLU13 3.7 18.7 1.0 CA A:SER12 4.0 16.1 1.0 CA A:GLU13 4.1 18.4 1.0 C A:SER12 4.1 16.8 1.0 CB A:SER12 4.3 15.6 1.0 OE1 A:GLU13 4.5 23.3 1.0 CG A:GLU13 4.9 20.5 1.0 N A:PHE14 5.0 18.1 1.0

K.G.Thakur, T.Praveena, B.Gopal. Mycobacterium Tuberculosis RV2704 Is A Member of the Yjgf/YER057C/UK114 Family. Proteins V. 78 773 2009.
ISSN: ISSN 0887-3585
PubMed: 19899170
DOI: 10.1002/PROT.22623