Bromine in PDB 1uhj: Crystal Structure of Br-Aequorin

The structure of Crystal Structure of Br-Aequorin, PDB code: 1uhj was solved by S.Toma, K.T.Chong, A.Nakagawa, K.Teranishi, S.Inouye, O.Shimomura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.19 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	34.213, 56.983, 57.820, 72.22, 80.32, 68.01
R / Rfree (%)	16.2 / 19.8

The binding sites of Bromine atom in the Crystal Structure of Br-Aequorin (pdb code 1uhj). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of Br-Aequorin, PDB code: 1uhj:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of Br-Aequorin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Br-Aequorin within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1001 b:25.7 occ:1.00 BR17 A:CZB1001 0.0 25.7 1.0 C14 A:CZB1001 1.9 18.8 1.0 C13 A:CZB1001 2.8 20.3 1.0 C15 A:CZB1001 2.9 19.7 1.0 OG1 A:THR166 3.4 15.6 1.0 N A:THR166 3.8 15.7 1.0 CA A:GLY109 3.8 13.2 1.0 ND1 A:HIS169 3.9 25.7 1.0 CA A:THR166 4.0 15.1 1.0 O A:ILE105 4.0 12.4 1.0 C A:MSE165 4.1 16.4 1.0 CB A:MSE165 4.1 18.4 1.0 O A:VAL162 4.1 15.6 1.0 CG A:MSE165 4.1 21.1 1.0 C12 A:CZB1001 4.1 19.1 1.0 CG2 A:VAL162 4.2 19.8 1.0 C16 A:CZB1001 4.2 19.3 1.0 CB A:THR166 4.3 16.1 1.0 CE1 A:HIS169 4.3 23.6 1.0 O A:MSE165 4.4 16.5 1.0 N A:GLY109 4.5 13.2 1.0 C11 A:CZB1001 4.7 19.7 1.0 CA A:MSE165 4.7 17.5 1.0 C A:ILE105 4.8 12.7 1.0 CG1 A:ILE105 4.8 15.9 1.0 CG A:HIS169 4.8 20.9 1.0 CA A:ARG106 4.9 12.6 1.0 C A:GLY109 4.9 12.7 1.0 C A:VAL162 5.0 17.9 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of Br-Aequorin


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Br-Aequorin within 5.0Å range: probe atom residue distance (Å) B Occ B:Br2001 b:24.6 occ:1.00 BR17 B:CZB2001 0.0 24.6 1.0 C14 B:CZB2001 1.9 21.9 1.0 C15 B:CZB2001 2.8 18.8 1.0 C13 B:CZB2001 2.9 22.3 1.0 OG1 B:THR166 3.1 18.8 1.0 CA B:THR166 3.7 16.9 1.0 N B:THR166 3.7 17.6 1.0 CA B:GLY109 3.8 12.7 1.0 ND1 B:HIS169 4.0 33.3 1.0 CB B:THR166 4.0 17.4 1.0 O B:ILE105 4.0 13.1 1.0 C B:MSE165 4.1 18.3 1.0 C16 B:CZB2001 4.1 18.7 1.0 C12 B:CZB2001 4.2 21.4 1.0 CG B:MSE165 4.2 31.1 1.0 CB B:MSE165 4.3 22.3 1.0 O B:MSE165 4.3 17.8 1.0 O B:VAL162 4.5 17.9 1.0 N B:GLY109 4.5 13.0 1.0 CG2 B:VAL162 4.6 20.6 1.0 CG2 B:THR166 4.7 17.2 1.0 C11 B:CZB2001 4.7 21.6 1.0 CE1 B:HIS169 4.7 33.1 1.0 CG B:HIS169 4.7 24.7 1.0 CG1 B:ILE105 4.7 17.4 1.0 CA B:MSE165 4.8 20.7 1.0 CB B:HIS169 4.8 20.0 1.0 C B:ILE105 4.8 13.5 1.0 C B:GLY109 4.9 12.6 1.0

S.Toma, K.T.Chong, A.Nakagawa, K.Teranishi, S.Inouye, O.Shimomura. The Crystal Structures of Semi-Synthetic Aequorins Protein Sci. V. 14 409 2005.
ISSN: ISSN 0961-8368
PubMed: 15632284
DOI: 10.1110/PS.041067805