Bromine in PDB 6d0g: 1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii

All present enzymatic activity of 1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii:
1.13.11.24;

The structure of 1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii, PDB code: 6d0g was solved by G.Minasov, L.Shuvalova, J.S.Brunzelle, I.Dubrovska, O.Kiryukhina, M.Endres, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.78 / 1.78
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	41.883, 73.616, 202.741, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 21

The structure of 1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Bromine atom in the 1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii (pdb code 6d0g). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the 1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii, PDB code: 6d0g:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the 1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of 1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:Br402 b:29.8 occ:0.50 OG1 A:THR64 3.0 25.2 1.0 BR A:BR403 3.3 29.4 0.5 N A:VAL63 3.6 22.8 1.0 C A:VAL63 3.6 22.2 1.0 N A:THR64 3.8 22.6 1.0 CA A:VAL63 3.8 22.2 1.0 O A:VAL63 3.9 21.3 1.0 C A:PRO62 4.0 24.3 1.0 CB A:PRO62 4.0 26.6 1.0 CB A:THR64 4.2 24.6 1.0 OE1 A:GLN130 4.4 43.1 1.0 O A:PRO62 4.5 24.2 1.0 CA A:THR64 4.5 23.5 1.0 CA A:PRO62 4.5 24.3 1.0 O A:HOH729 4.5 48.2 1.0 CD A:GLN130 4.5 36.8 1.0 CG A:GLN130 4.7 32.1 1.0 O A:HOH713 4.8 42.8 1.0

Bromine binding site 2 out of 2 in the 1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of 1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3- Dioxygenase From Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:Br403 b:29.4 occ:0.50 O A:HOH729 3.2 48.2 1.0 BR A:BR402 3.3 29.8 0.5 OE1 A:GLN130 3.4 43.1 1.0 N A:VAL63 3.7 22.8 1.0 CB A:PRO62 3.7 26.6 1.0 O A:MSE131 3.7 21.1 1.0 CB A:GLU89 3.8 27.8 0.5 O A:VAL63 3.8 21.3 1.0 CA A:PRO62 3.8 24.3 1.0 CB A:GLN130 3.9 26.9 1.0 CB A:HIS132 3.9 21.4 1.0 C A:MSE131 4.0 21.8 1.0 N A:MSE131 4.0 22.4 1.0 CD A:GLN130 4.1 36.8 1.0 CB A:GLU89 4.1 28.5 0.5 C A:PRO62 4.2 24.3 1.0 CG A:GLN130 4.2 32.1 1.0 N A:HIS132 4.3 20.8 1.0 CG A:GLU89 4.3 29.5 0.5 CG A:GLU89 4.4 30.3 0.5 C A:VAL63 4.4 22.2 1.0 CA A:MSE131 4.6 23.0 1.0 CA A:HIS132 4.6 20.7 1.0 CA A:GLN130 4.6 23.6 1.0 CA A:VAL63 4.7 22.2 1.0 C A:GLN130 4.7 21.7 1.0 CG A:HIS132 4.9 21.8 1.0 CG A:PRO62 4.9 26.9 1.0

G.Minasov, L.Shuvalova, J.S.Brunzelle, I.Dubrovska, O.Kiryukhina, M.Endres, W.F.Anderson, K.J.F.Satchell, A.Joachimiak. 1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3-Dioxygenase From Acinetobacter Baumannii. To Be Published.