Magnesium in PDB 3k1e: Crystal Structure of Odorant Binding Protein 1 (AAEGOBP1) From Aedes Aegypti

The structure of Crystal Structure of Odorant Binding Protein 1 (AAEGOBP1) From Aedes Aegypti, PDB code: 3k1e was solved by N.R.Leite, R.Krogh, W.S.Leal, J.Iulek, G.Oliva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.68 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.248, 47.870, 69.082, 90.00, 96.61, 90.00
R / Rfree (%)	15.1 / 21.2

The structure of Crystal Structure of Odorant Binding Protein 1 (AAEGOBP1) From Aedes Aegypti also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Odorant Binding Protein 1 (AAEGOBP1) From Aedes Aegypti (pdb code 3k1e). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Odorant Binding Protein 1 (AAEGOBP1) From Aedes Aegypti, PDB code: 3k1e:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Odorant Binding Protein 1 (AAEGOBP1) From Aedes Aegypti


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Odorant Binding Protein 1 (AAEGOBP1) From Aedes Aegypti within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:22.5 occ:1.00 O A:HOH206 2.2 23.0 1.0 O A:HOH205 2.2 25.5 1.0 O A:HOH207 2.2 24.8 1.0 O A:HOH203 2.2 19.7 1.0 O A:HOH204 2.2 26.0 1.0 NE2 A:HIS85 2.3 13.5 1.0 CD2 A:HIS85 3.2 16.1 1.0 CE1 A:HIS85 3.4 13.7 1.0 O A:LEU80 3.9 12.5 1.0 O A:HOH325 3.9 17.0 1.0 O A:ASP78 3.9 6.7 1.0 CG A:ASP82 4.1 14.1 0.5 CG A:HIS85 4.4 14.4 1.0 ND1 A:HIS85 4.5 12.1 1.0 O A:HIS77 4.5 9.4 1.0 CA A:ASP82 4.6 14.0 0.5 CA A:ASP82 4.6 14.0 0.5 C A:ASP78 4.6 8.4 1.0 N A:ASP82 4.8 13.3 1.0 CA A:ASP78 4.8 8.7 1.0 CB A:ASP82 4.9 13.9 0.5 CB A:ASP82 5.0 14.0 0.5

Magnesium binding site 2 out of 3 in the Crystal Structure of Odorant Binding Protein 1 (AAEGOBP1) From Aedes Aegypti


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Odorant Binding Protein 1 (AAEGOBP1) From Aedes Aegypti within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:38.3 occ:1.00 O B:HOH212 2.2 34.7 1.0 O B:HOH208 2.2 38.1 1.0 O B:HOH209 2.2 34.7 1.0 O B:HOH211 2.2 35.0 1.0 O B:HOH210 2.2 35.6 1.0 O B:HOH358 3.9 19.6 1.0 OG B:SER117 3.9 15.6 1.0 O B:HOH370 4.1 20.9 1.0 O B:HOH376 4.2 21.6 1.0 CA B:SER117 4.5 11.8 1.0 CB B:SER117 4.5 13.1 1.0 CB B:ARG94 4.6 10.9 1.0 O B:HOH371 4.7 25.6 1.0 CG B:ARG94 4.7 10.6 1.0 O B:HOH308 4.9 9.4 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Odorant Binding Protein 1 (AAEGOBP1) From Aedes Aegypti


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Odorant Binding Protein 1 (AAEGOBP1) From Aedes Aegypti within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg126 b:43.8 occ:0.50 CE1 B:HIS85 0.6 14.5 0.5 NE2 B:HIS85 1.5 13.9 0.5 ND1 B:HIS85 1.8 15.4 0.5 O B:HOH204 2.2 41.5 0.5 O B:HOH203 2.2 44.9 0.5 CD2 B:HIS85 2.6 14.7 0.5 O B:LEU80 2.7 14.4 1.0 CG B:HIS85 2.7 15.0 0.5 O B:HIS77 3.0 13.0 1.0 OD1 B:ASP82 3.2 12.0 1.0 C B:LEU80 3.7 15.0 1.0 O B:PRO81 3.8 13.6 1.0 O B:HOH492 3.8 42.8 1.0 CA B:ASP82 3.8 12.3 1.0 C B:PRO81 3.9 13.4 1.0 N B:ASP82 3.9 12.5 1.0 ND1 B:HIS85 4.0 18.1 0.5 C B:HIS77 4.1 13.1 1.0 CB B:HIS85 4.2 15.4 0.5 O B:ASP78 4.2 13.4 1.0 CG B:ASP82 4.2 11.2 1.0 O B:HOH411 4.3 26.0 1.0 CB B:LEU80 4.4 15.2 1.0 C B:ASP78 4.4 13.8 1.0 CA B:LEU80 4.4 15.2 1.0 CA B:ASP78 4.4 13.7 0.5 CA B:ASP78 4.4 13.7 0.5 N B:LEU80 4.4 15.4 1.0 CB B:HIS85 4.5 15.9 0.5 CB B:ASP82 4.6 11.3 1.0 N B:PRO81 4.7 15.2 1.0 CA B:HIS85 4.7 15.6 0.5 CA B:HIS85 4.7 15.8 0.5 CG B:HIS85 4.7 16.5 0.5 N B:ASP78 4.7 13.3 1.0 CA B:PRO81 4.8 15.0 1.0 O B:HOH307 4.8 9.1 0.5 C B:ASP82 4.8 12.5 1.0 N B:HIS85 4.9 15.4 1.0 O B:ASP82 5.0 12.4 1.0

N.R.Leite, R.Krogh, W.Xu, Y.Ishida, J.Iulek, W.S.Leal, G.Oliva. Structure of An Odorant-Binding Protein From the Mosquito Aedes Aegypti Suggests A Binding Pocket Covered By A pH-Sensitive "Lid". Plos One V. 4 E8006 2009.
ISSN: ESSN 1932-6203
PubMed: 19956631
DOI: 10.1371/JOURNAL.PONE.0008006