Iodine in PDB 1rtk: Crystal Structure Analysis of the Bb Segment of Factor B Complexed with 4-Guanidinobenzoic Acid

All present enzymatic activity of Crystal Structure Analysis of the Bb Segment of Factor B Complexed with 4-Guanidinobenzoic Acid:
3.4.21.47;

The structure of Crystal Structure Analysis of the Bb Segment of Factor B Complexed with 4-Guanidinobenzoic Acid, PDB code: 1rtk was solved by K.Ponnuraj, Y.Xu, K.Macon, D.Moore, J.E.Volanakis, S.V.Narayana, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.81 / 2.30
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	98.355, 98.355, 125.657, 90.00, 90.00, 120.00
R / Rfree (%)	20.8 / 24.5

The structure of Crystal Structure Analysis of the Bb Segment of Factor B Complexed with 4-Guanidinobenzoic Acid also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Sodium	(Na)	7 atoms

The binding sites of Iodine atom in the Crystal Structure Analysis of the Bb Segment of Factor B Complexed with 4-Guanidinobenzoic Acid (pdb code 1rtk). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure Analysis of the Bb Segment of Factor B Complexed with 4-Guanidinobenzoic Acid, PDB code: 1rtk:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure Analysis of the Bb Segment of Factor B Complexed with 4-Guanidinobenzoic Acid


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 the Bb Segment of Factor B Complexed with 4-Guanidinobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I740 b:31.9 occ:1.00 CE1 A:HIS531 3.5 27.4 1.0 NE2 A:HIS531 3.8 30.2 1.0 CD A:PRO725 3.9 23.9 1.0 N A:TRP726 4.0 23.0 1.0 CA A:VAL723 4.0 23.6 1.0 CB A:PRO725 4.0 24.8 1.0 CB A:TRP726 4.2 22.3 1.0 CG A:PRO725 4.2 23.0 1.0 C A:VAL723 4.2 24.4 1.0 O A:GLN722 4.2 25.8 1.0 O A:VAL723 4.2 23.3 1.0 CE2 A:TYR550 4.4 24.2 1.0 N A:PRO725 4.4 26.1 1.0 CA A:PRO725 4.6 24.7 1.0 CA A:TRP726 4.7 23.1 1.0 ND1 A:HIS531 4.7 27.8 1.0 C A:PRO725 4.7 25.5 1.0 CB A:VAL723 4.7 24.1 1.0 CD2 A:TYR550 4.9 22.8 1.0 N A:LEU724 4.9 25.7 1.0 N A:VAL723 5.0 23.1 1.0

Iodine binding site 2 out of 2 in the Crystal Structure Analysis of the Bb Segment of Factor B Complexed with 4-Guanidinobenzoic Acid


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 the Bb Segment of Factor B Complexed with 4-Guanidinobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I741 b:29.2 occ:1.00 O A:HOH1010 3.1 25.9 1.0 NA A:NA748 3.4 32.0 1.0 O A:HOH860 3.5 18.7 1.0 CE1 A:HIS466 3.6 20.3 1.0 CB A:GLN565 4.1 25.5 1.0 NE2 A:GLN565 4.1 33.3 1.0 CG2 A:THR566 4.2 19.6 1.0 NE2 A:HIS466 4.3 22.0 1.0 ND1 A:HIS466 4.6 23.7 1.0 N A:GLN565 4.9 22.3 1.0 CA A:GLN565 4.9 22.6 1.0 CG A:GLN565 5.0 28.1 1.0

K.Ponnuraj, Y.Xu, K.Macon, D.Moore, J.E.Volanakis, S.V.Narayana. Structural Analysis of Engineered Bb Fragment of Complement Factor B: Insights Into the Activation Mechanism of the Alternative Pathway C3-Convertase. Mol.Cell V. 14 17 2004.
ISSN: ISSN 1097-2765
PubMed: 15068800
DOI: 10.1016/S1097-2765(04)00160-1