Iodine in PDB 1rrk: Crystal Structure Analysis of the Bb Segment of Factor B

All present enzymatic activity of Crystal Structure Analysis of the Bb Segment of Factor B:
3.4.21.47;

The structure of Crystal Structure Analysis of the Bb Segment of Factor B, PDB code: 1rrk 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)	19.67 / 2.00
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	98.980, 98.980, 126.428, 90.00, 90.00, 120.00
R / Rfree (%)	22 / 24.5

The structure of Crystal Structure Analysis of the Bb Segment of Factor B also contains other interesting chemical elements:

Cobalt	(Co)	1 atom
Sodium	(Na)	7 atoms

The binding sites of Iodine atom in the Crystal Structure Analysis of the Bb Segment of Factor B (pdb code 1rrk). 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, PDB code: 1rrk:
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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:I740 b:34.6 occ:1.00 CE1 A:HIS531 3.5 28.9 1.0 NE2 A:HIS531 3.9 30.6 1.0 CA A:VAL723 4.0 28.1 1.0 CB A:PRO725 4.0 30.4 1.0 N A:TRP726 4.0 28.6 1.0 CD A:PRO725 4.0 30.1 1.0 CB A:TRP726 4.2 28.7 1.0 O A:GLN722 4.3 30.9 1.0 CG A:PRO725 4.3 31.1 1.0 C A:VAL723 4.3 26.6 1.0 CE2 A:TYR550 4.3 30.6 1.0 O A:VAL723 4.4 25.9 1.0 N A:PRO725 4.5 30.4 1.0 CB A:VAL723 4.6 26.5 1.0 CA A:TRP726 4.7 28.9 1.0 CA A:PRO725 4.7 29.2 1.0 ND1 A:HIS531 4.7 30.9 1.0 C A:PRO725 4.8 30.0 1.0 CG1 A:VAL723 4.8 25.1 1.0 CD2 A:TYR550 4.9 30.1 1.0 N A:LEU724 5.0 27.8 1.0

Iodine binding site 2 out of 2 in the Crystal Structure Analysis of the Bb Segment of Factor B


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:I741 b:34.9 occ:1.00 NA A:NA748 3.3 41.4 1.0 O A:HOH862 3.5 26.5 1.0 CE1 A:HIS466 3.6 25.2 1.0 CB A:GLN565 3.8 33.1 1.0 NE2 A:HIS466 4.3 26.6 1.0 CG2 A:THR566 4.4 26.6 1.0 NE2 A:GLN565 4.5 41.2 1.0 ND1 A:HIS466 4.6 26.9 1.0 CA A:GLN565 4.7 28.6 1.0 CG A:GLN565 4.7 36.9 1.0 N A:GLN565 4.8 29.4 1.0 C A:GLN565 5.0 25.6 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