Iodine in PDB 1uhi: Crystal Structure of I-Aequorin

The structure of Crystal Structure of I-Aequorin, PDB code: 1uhi 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)	33.27 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	34.263, 54.432, 57.523, 102.05, 99.70, 103.80
R / Rfree (%)	18.8 / 25

The binding sites of Iodine atom in the Crystal Structure of I-Aequorin (pdb code 1uhi). 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 of I-Aequorin, PDB code: 1uhi:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of I-Aequorin


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of I-Aequorin within 5.0Å range: probe atom residue distance (Å) B Occ A:I1001 b:20.3 occ:1.00 I A:CZI1001 0.0 20.3 1.0 C14 A:CZI1001 2.1 18.4 1.0 C15 A:CZI1001 3.1 17.7 1.0 C13 A:CZI1001 3.1 21.1 1.0 OG1 A:THR166 3.1 15.9 1.0 CA A:THR166 3.8 15.0 1.0 CA A:GLY109 3.9 11.1 1.0 N A:THR166 4.0 15.1 1.0 O A:ILE105 4.0 13.2 1.0 CB A:THR166 4.0 16.3 1.0 CB A:MET165 4.2 16.8 1.0 C A:MET165 4.3 15.3 1.0 CG A:MET165 4.3 21.9 1.0 C16 A:CZI1001 4.4 20.0 1.0 C12 A:CZI1001 4.4 20.1 1.0 O A:VAL162 4.5 17.0 1.0 O A:MET165 4.5 14.3 1.0 CG2 A:VAL162 4.6 15.5 1.0 N A:GLY109 4.6 12.5 1.0 CG1 A:ILE105 4.6 16.7 1.0 CG A:HIS169 4.7 20.9 1.0 CG2 A:THR166 4.7 16.9 1.0 CD2 A:HIS169 4.7 30.2 1.0 C A:ILE105 4.7 14.0 1.0 CB A:HIS169 4.9 17.9 1.0 CA A:ARG106 4.9 12.6 1.0 C11 A:CZI1001 4.9 17.6 1.0 CA A:MET165 4.9 16.9 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of I-Aequorin


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of I-Aequorin within 5.0Å range: probe atom residue distance (Å) B Occ B:I2001 b:19.1 occ:1.00 I B:CZI2001 0.0 19.1 1.0 C14 B:CZI2001 2.1 18.4 1.0 C15 B:CZI2001 3.0 20.1 1.0 C13 B:CZI2001 3.1 23.0 1.0 OG1 B:THR166 3.3 12.8 1.0 CD2 B:HIS169 3.7 28.7 1.0 N B:THR166 3.9 14.1 1.0 CA B:THR166 3.9 13.4 1.0 O B:ILE105 3.9 12.3 1.0 CA B:GLY109 4.0 11.7 1.0 C B:MET165 4.2 15.3 1.0 O B:VAL162 4.2 17.0 1.0 CB B:THR166 4.2 15.2 1.0 CB B:MET165 4.2 16.6 1.0 C16 B:CZI2001 4.3 20.1 1.0 CG2 B:VAL162 4.3 19.9 1.0 CG1 B:ILE105 4.4 15.7 1.0 C12 B:CZI2001 4.4 22.1 1.0 CG B:MET165 4.5 17.1 1.0 O B:MET165 4.5 14.4 1.0 C B:ILE105 4.5 13.3 1.0 NE2 B:HIS169 4.5 31.6 1.0 N B:GLY109 4.5 12.0 1.0 CA B:ARG106 4.6 12.4 1.0 CG B:HIS169 4.7 23.6 1.0 CA B:MET165 4.8 16.6 1.0 N B:ARG106 4.8 13.1 1.0 CG2 B:THR166 4.9 14.8 1.0 C11 B:CZI2001 4.9 19.6 1.0 CD1 B:ILE105 4.9 15.2 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