Iodine in PDB 1rs0: Crystal Structure Analysis of the Bb Segment of Factor B Complexed with Di-Isopropyl-Phosphate (Dip)

All present enzymatic activity of Crystal Structure Analysis of the Bb Segment of Factor B Complexed with Di-Isopropyl-Phosphate (Dip):
3.4.21.47;

The structure of Crystal Structure Analysis of the Bb Segment of Factor B Complexed with Di-Isopropyl-Phosphate (Dip), PDB code: 1rs0 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)	19.82 / 2.60
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	98.449, 98.449, 125.678, 90.00, 90.00, 120.00
R / Rfree (%)	21.2 / 25.1

The structure of Crystal Structure Analysis of the Bb Segment of Factor B Complexed with Di-Isopropyl-Phosphate (Dip) 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 Di-Isopropyl-Phosphate (Dip) (pdb code 1rs0). 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 Di-Isopropyl-Phosphate (Dip), PDB code: 1rs0:
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 Di-Isopropyl-Phosphate (Dip)


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 Di-Isopropyl-Phosphate (Dip) within 5.0Å range: probe atom residue distance (Å) B Occ A:I740 b:46.2 occ:1.00 CE1 A:HIS531 3.4 33.9 1.0 NE2 A:HIS531 3.8 34.4 1.0 CD A:PRO725 3.9 33.9 1.0 CA A:VAL723 3.9 29.9 1.0 CB A:PRO725 3.9 32.8 1.0 N A:TRP726 4.0 31.8 1.0 CG A:PRO725 4.1 33.3 1.0 CB A:TRP726 4.2 30.4 1.0 O A:GLN722 4.2 33.6 1.0 C A:VAL723 4.2 30.1 1.0 O A:VAL723 4.2 27.8 1.0 CE2 A:TYR550 4.3 32.5 1.0 N A:PRO725 4.5 33.9 1.0 ND1 A:HIS531 4.6 33.7 1.0 CB A:VAL723 4.6 30.5 1.0 CA A:TRP726 4.7 30.7 1.0 CA A:PRO725 4.7 33.1 1.0 C A:PRO725 4.7 33.4 1.0 CG1 A:VAL723 4.8 29.1 1.0 CD2 A:TYR550 4.9 31.4 1.0 N A:VAL723 4.9 31.3 1.0 C A:GLN722 5.0 33.3 1.0 N A:LEU724 5.0 31.9 1.0

Iodine binding site 2 out of 2 in the Crystal Structure Analysis of the Bb Segment of Factor B Complexed with Di-Isopropyl-Phosphate (Dip)


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 Di-Isopropyl-Phosphate (Dip) within 5.0Å range: probe atom residue distance (Å) B Occ A:I741 b:41.8 occ:1.00 NA A:NA748 3.4 41.0 1.0 CE1 A:HIS466 3.6 24.5 1.0 CB A:GLN565 3.7 35.1 1.0 NE2 A:HIS466 4.3 26.8 1.0 NE2 A:GLN565 4.4 43.7 1.0 CG2 A:THR566 4.4 27.0 1.0 ND1 A:HIS466 4.6 25.6 1.0 CG A:GLN565 4.6 37.8 1.0 CA A:GLN565 4.7 32.3 1.0 N A:GLN565 4.7 35.5 1.0 C A:GLN565 4.9 32.2 1.0 N A:THR566 5.0 29.6 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