Chlorine in PDB 2d1s: Crystal Structure of the Thermostable Japanese Firefly Luciferase Complexed with High-Energy Intermediate Analogue

All present enzymatic activity of Crystal Structure of the Thermostable Japanese Firefly Luciferase Complexed with High-Energy Intermediate Analogue:
1.13.12.7;

The structure of Crystal Structure of the Thermostable Japanese Firefly Luciferase Complexed with High-Energy Intermediate Analogue, PDB code: 2d1s was solved by T.Nakatsu, S.Ichiyama, J.Hiratake, A.Saldanha, N.Kobashi, K.Sakata, H.Kato, Riken Structural Genomics/Proteomicsinitiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.00 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.586, 181.313, 52.038, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 20.1

The binding sites of Chlorine atom in the Crystal Structure of the Thermostable Japanese Firefly Luciferase Complexed with High-Energy Intermediate Analogue (pdb code 2d1s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Thermostable Japanese Firefly Luciferase Complexed with High-Energy Intermediate Analogue, PDB code: 2d1s:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Thermostable Japanese Firefly Luciferase Complexed with High-Energy Intermediate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Thermostable Japanese Firefly Luciferase Complexed with High-Energy Intermediate Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:7.0 occ:1.00 NZ A:LYS531 3.1 6.2 1.0 N A:LYS531 3.3 7.0 1.0 CA A:GLY527 3.3 8.9 1.0 N A:THR529 3.3 8.0 1.0 C A:GLY527 3.3 8.9 1.0 OG A:SER201 3.4 6.7 1.0 CB A:LYS531 3.5 6.5 1.0 N A:LEU528 3.5 9.2 1.0 OG1 A:THR529 3.6 7.5 1.0 CB A:SER201 3.6 7.7 1.0 N A:GLY530 3.6 8.5 1.0 CG A:LYS531 3.7 5.9 1.0 C A:THR529 3.8 8.4 1.0 N A:GLY527 3.8 8.6 1.0 N A:GLY202 3.8 9.3 1.0 O A:GLY527 3.8 8.6 1.0 CA A:LYS531 3.9 6.7 1.0 CE A:LYS531 3.9 7.3 1.0 CA A:THR529 3.9 8.2 1.0 C A:SER201 3.9 8.1 1.0 CA A:GLY202 4.0 10.6 1.0 O A:LYS531 4.1 7.3 1.0 O A:SER201 4.3 8.0 1.0 C A:GLY530 4.3 7.5 1.0 C A:LEU528 4.3 9.2 1.0 O A:THR529 4.4 9.3 1.0 CB A:THR529 4.4 8.2 1.0 CD A:LYS531 4.4 7.3 1.0 CA A:SER201 4.4 7.9 1.0 O A:HOH2014 4.5 6.6 1.0 O A:HOH2160 4.5 13.5 1.0 CA A:LEU528 4.5 9.8 1.0 C A:LYS531 4.5 6.5 1.0 CA A:GLY530 4.5 8.4 1.0 CL A:CL1002 4.7 14.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Thermostable Japanese Firefly Luciferase Complexed with High-Energy Intermediate Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Thermostable Japanese Firefly Luciferase Complexed with High-Energy Intermediate Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:14.2 occ:1.00 O A:HOH2182 3.0 13.7 1.0 N A:GLY202 3.2 9.3 1.0 N A:LEU528 3.3 9.2 1.0 O A:HOH2739 3.3 30.2 1.0 CA A:GLY527 3.5 8.9 1.0 CG A:LEU528 3.6 12.7 1.0 CB A:SER201 3.7 7.7 1.0 CA A:SER201 3.8 7.9 1.0 C A:GLY527 3.9 8.9 1.0 C A:SER201 4.0 8.1 1.0 O A:HOH2405 4.0 24.0 1.0 CB A:LEU528 4.1 11.0 1.0 CA A:GLY202 4.2 10.6 1.0 CA A:LEU528 4.3 9.8 1.0 O A:HOH2251 4.3 21.2 1.0 CD1 A:LEU528 4.3 12.1 1.0 CD2 A:LEU528 4.5 14.5 1.0 O A:HOH2651 4.6 29.5 1.0 CL A:CL1001 4.7 7.0 1.0 N A:GLY527 4.9 8.6 1.0

T.Nakatsu, S.Ichiyama, J.Hiratake, A.Saldanha, N.Kobashi, K.Sakata, H.Kato. Structural Basis For the Spectral Difference in Luciferase Bioluminescence. Nature V. 440 372 2006.
ISSN: ISSN 0028-0836
PubMed: 16541080
DOI: 10.1038/NATURE04542