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

Protein crystallography data

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

Bromine Binding Sites:

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 1uhj

Go back to Bromine Binding Sites List in 1uhj
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 1uhj

Go back to Bromine Binding Sites List in 1uhj
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

Reference:

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
Page generated: Sat Dec 12 02:04:18 2020

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