Chlorine in PDB 4nxf: Crystal Structure of Ilov-I486(2LT) at pH 8.0

All present enzymatic activity of Crystal Structure of Ilov-I486(2LT) at pH 8.0:
2.7.11.1;

The structure of Crystal Structure of Ilov-I486(2LT) at pH 8.0, PDB code: 4nxf was solved by J.Wang, X.Liu, J.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.20 / 1.77
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.233, 64.897, 49.362, 90.00, 102.59, 90.00
R / Rfree (%)	19.6 / 22.6

The binding sites of Chlorine atom in the Crystal Structure of Ilov-I486(2LT) at pH 8.0 (pdb code 4nxf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Ilov-I486(2LT) at pH 8.0, PDB code: 4nxf:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Ilov-I486(2LT) at pH 8.0


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 Ilov-I486(2LT) at pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl486 b:35.2 occ:1.00 CL1 A:2LT486 0.0 35.2 1.0 CE1 A:2LT486 1.7 17.9 1.0 CZ A:2LT486 2.7 17.3 1.0 CD1 A:2LT486 2.7 13.3 1.0 OH A:2LT486 2.9 17.9 1.0 O A:HOH1160 3.2 21.6 1.0 CG2 A:VAL488 3.4 21.6 1.0 CD2 A:HIS471 3.5 26.6 1.0 N B:LYS389 3.9 30.2 1.0 O A:HOH1159 3.9 27.6 1.0 CE2 A:2LT486 3.9 17.6 1.0 CG A:2LT486 4.0 13.2 1.0 NE2 A:HIS471 4.0 28.4 1.0 CE2 B:PHE391 4.2 16.9 1.0 O B:LYS389 4.3 22.4 1.0 CD2 A:2LT486 4.5 14.1 1.0 CB B:SER407 4.5 14.5 1.0 CB A:VAL488 4.5 17.1 1.0 CB A:GLN473 4.7 22.3 1.0 CG A:HIS471 4.8 26.9 1.0 CZ B:PHE391 4.9 18.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Ilov-I486(2LT) at pH 8.0


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 Ilov-I486(2LT) at pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl486 b:33.3 occ:1.00 CL2 A:2LT486 0.0 33.3 1.0 CE2 A:2LT486 1.7 17.6 1.0 CZ A:2LT486 2.7 17.3 1.0 CD2 A:2LT486 2.7 14.1 1.0 OH A:2LT486 2.9 17.9 1.0 NH2 B:ARG418 3.2 20.6 1.0 CG2 A:VAL475 3.3 18.5 1.0 N B:ASP408 3.4 17.6 1.0 CG A:GLN473 3.5 26.5 1.0 OD1 B:ASP408 3.5 28.9 1.0 CA B:SER407 3.7 16.8 1.0 CG B:ASP408 3.9 32.8 1.0 C B:SER407 3.9 16.2 1.0 CE1 A:2LT486 3.9 17.9 1.0 CG A:2LT486 4.0 13.2 1.0 O B:ALA406 4.1 16.9 1.0 CB B:ASP408 4.3 19.9 1.0 CB A:GLN473 4.3 22.3 1.0 CZ B:ARG418 4.3 18.7 1.0 CA B:ASP408 4.3 21.2 1.0 CD1 A:2LT486 4.5 13.3 1.0 CB B:SER407 4.5 14.5 1.0 OD2 B:ASP408 4.6 37.2 1.0 CD A:GLN473 4.6 24.6 1.0 O A:PRO474 4.6 17.6 1.0 CB A:VAL475 4.7 16.2 1.0 N B:SER407 4.7 15.9 1.0 CZ B:PHE405 4.7 17.3 1.0 CE1 B:PHE405 4.8 16.6 1.0 C B:ALA406 4.8 14.7 1.0 O A:GLN473 4.9 13.1 1.0 NH1 B:ARG418 5.0 21.0 1.0 O B:SER407 5.0 17.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Ilov-I486(2LT) at pH 8.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Ilov-I486(2LT) at pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl486 b:38.0 occ:1.00 CL1 B:2LT486 0.0 38.0 1.0 CE1 B:2LT486 1.7 18.0 1.0 CZ B:2LT486 2.7 21.0 1.0 CD1 B:2LT486 2.7 11.6 1.0 OH B:2LT486 2.9 18.9 1.0 O B:HOH1137 3.2 21.4 1.0 CG2 B:VAL488 3.3 22.1 1.0 O B:HOH1138 3.6 27.2 1.0 CD2 B:HIS471 3.8 26.5 1.0 CE2 B:2LT486 4.0 17.5 1.0 CG B:2LT486 4.0 11.6 1.0 CE2 A:PHE391 4.1 20.0 1.0 NE2 B:HIS471 4.3 26.9 1.0 O A:LYS389 4.4 21.5 1.0 CD2 B:2LT486 4.5 12.7 1.0 CB B:VAL488 4.5 15.7 1.0 CB A:SER407 4.6 13.7 1.0 CB B:GLN473 4.7 16.5 1.0 CZ A:PHE391 4.8 22.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Ilov-I486(2LT) at pH 8.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Ilov-I486(2LT) at pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl486 b:34.5 occ:1.00 CL2 B:2LT486 0.0 34.5 1.0 CE2 B:2LT486 1.7 17.5 1.0 CZ B:2LT486 2.7 21.0 1.0 CD2 B:2LT486 2.7 12.7 1.0 OH B:2LT486 2.9 18.9 1.0 CG2 B:VAL475 3.3 27.3 1.0 OD1 A:ASP408 3.4 31.8 1.0 N A:ASP408 3.4 14.7 1.0 NH2 A:ARG418 3.4 18.8 1.0 CG B:GLN473 3.5 21.0 1.0 O A:HOH1112 3.7 30.0 1.0 CG A:ASP408 3.8 28.6 1.0 CA A:SER407 3.9 16.8 1.0 CE1 B:2LT486 4.0 18.0 1.0 CG B:2LT486 4.0 11.6 1.0 C A:SER407 4.0 15.2 1.0 CB B:GLN473 4.2 16.5 1.0 O A:ALA406 4.2 15.0 1.0 CB A:ASP408 4.2 21.8 1.0 CA A:ASP408 4.3 17.6 1.0 O B:PRO474 4.3 17.9 1.0 OD2 A:ASP408 4.5 26.3 1.0 CD1 B:2LT486 4.5 11.6 1.0 CZ A:ARG418 4.5 20.5 1.0 CB A:SER407 4.6 13.7 1.0 CB B:VAL475 4.6 17.7 1.0 O B:GLN473 4.6 15.1 1.0 CD B:GLN473 4.7 27.1 1.0 CZ A:PHE405 4.8 20.6 1.0 N A:SER407 4.9 14.4 1.0 C B:PRO474 5.0 20.7 1.0 C A:ALA406 5.0 12.7 1.0

X.Liu, L.Jiang, J.Li, L.Wang, Y.Yu, Q.Zhou, X.Lv, W.Gong, Y.Lu, J.Wang. Significant Expansion of Fluorescent Protein Sensing Ability Through the Genetic Incorporation of Superior Photo-Induced Electron-Transfer Quenchers J.Am.Chem.Soc. 2014.
ISSN: ESSN 1520-5126
PubMed: 25197956
DOI: 10.1021/JA505219R