Chlorine in PDB 4nxg: Crystal Structure of Ilov-I486Z(2LT) at pH 9.0

All present enzymatic activity of Crystal Structure of Ilov-I486Z(2LT) at pH 9.0:
2.7.11.1;

The structure of Crystal Structure of Ilov-I486Z(2LT) at pH 9.0, PDB code: 4nxg 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)	36.38 / 2.09
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.397, 60.711, 49.279, 90.00, 103.42, 90.00
R / Rfree (%)	19.8 / 22.9

The binding sites of Chlorine atom in the Crystal Structure of Ilov-I486Z(2LT) at pH 9.0 (pdb code 4nxg). 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-I486Z(2LT) at pH 9.0, PDB code: 4nxg:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Ilov-I486Z(2LT) at pH 9.0


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-I486Z(2LT) at pH 9.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl486 b:34.7 occ:1.00 CL1 A:2LT486 0.0 34.7 1.0 CE1 A:2LT486 1.8 18.8 1.0 CD1 A:2LT486 2.7 18.7 1.0 CZ A:2LT486 2.8 18.0 1.0 OH A:2LT486 3.0 15.3 1.0 NH1 B:ARG418 3.1 23.2 1.0 OD1 B:ASP408 3.2 25.9 1.0 O B:HOH704 3.2 38.6 1.0 N B:ASP408 3.4 15.9 1.0 CG2 A:VAL475 3.4 16.0 1.0 CG A:GLN473 3.5 17.9 1.0 CG B:ASP408 3.6 26.8 1.0 CA B:SER407 3.9 19.4 1.0 CE2 A:2LT486 4.0 16.6 1.0 C B:SER407 4.0 18.9 1.0 CG A:2LT486 4.0 19.1 1.0 CZ B:ARG418 4.1 22.8 1.0 O B:ALA406 4.2 21.3 1.0 OD2 B:ASP408 4.2 32.4 1.0 CB B:ASP408 4.3 23.5 1.0 CB A:GLN473 4.3 14.8 1.0 CA B:ASP408 4.3 19.6 1.0 O A:PRO474 4.5 15.8 1.0 CD2 A:2LT486 4.5 15.1 1.0 CZ B:PHE405 4.7 28.2 1.0 NH2 B:ARG418 4.7 24.2 1.0 CB B:SER407 4.7 19.3 1.0 CB A:VAL475 4.7 16.1 1.0 CD A:GLN473 4.7 18.1 1.0 O A:GLN473 4.7 14.5 1.0 CE1 B:PHE405 4.9 27.5 1.0 N B:SER407 4.9 18.8 1.0 C B:ALA406 4.9 20.8 1.0 O A:HOH714 5.0 27.2 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Ilov-I486Z(2LT) at pH 9.0


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-I486Z(2LT) at pH 9.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl486 b:44.3 occ:1.00 CL2 A:2LT486 0.0 44.3 1.0 CE2 A:2LT486 1.7 16.6 1.0 CZ A:2LT486 2.6 18.0 1.0 CD2 A:2LT486 2.7 15.1 1.0 OH A:2LT486 2.9 15.3 1.0 O A:HOH715 3.2 15.3 1.0 O A:HOH714 3.5 27.2 1.0 CG2 A:VAL488 3.6 21.5 1.0 CD2 A:HIS471 3.7 22.4 1.0 CD B:LYS389 3.9 46.5 1.0 CE1 A:2LT486 3.9 18.8 1.0 CG A:2LT486 4.0 19.1 1.0 NE2 A:HIS471 4.0 26.3 1.0 CE2 B:PHE391 4.1 17.4 1.0 CB B:LYS389 4.2 37.6 1.0 CG B:LYS389 4.3 43.1 1.0 CE B:LYS389 4.3 48.9 1.0 CD1 A:2LT486 4.5 18.7 1.0 CB B:SER407 4.5 19.3 1.0 O B:LYS389 4.6 23.1 1.0 CB A:VAL488 4.7 21.2 1.0 CB A:GLN473 4.7 14.8 1.0 CZ B:PHE391 4.8 20.2 1.0 CG A:HIS471 5.0 25.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Ilov-I486Z(2LT) at pH 9.0


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-I486Z(2LT) at pH 9.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl486 b:34.3 occ:1.00 CL1 B:2LT486 0.0 34.3 1.0 CE1 B:2LT486 1.8 19.4 1.0 CD1 B:2LT486 2.7 18.0 1.0 CZ B:2LT486 2.8 17.7 1.0 OH B:2LT486 3.0 15.1 1.0 O B:HOH703 3.2 27.9 1.0 CD A:LYS389 3.4 47.0 1.0 CG2 B:VAL488 3.5 16.8 1.0 O B:HOH702 3.8 20.4 1.0 CG A:LYS389 3.9 41.6 1.0 CE2 B:2LT486 4.0 16.9 1.0 CD2 B:HIS471 4.0 26.0 1.0 CB A:LYS389 4.0 34.0 1.0 CG B:2LT486 4.1 18.5 1.0 CE A:LYS389 4.1 50.5 1.0 CE2 A:PHE391 4.2 27.3 1.0 O A:LYS389 4.4 28.6 1.0 CD2 B:2LT486 4.5 15.2 1.0 CB A:SER407 4.5 17.0 1.0 NE2 B:HIS471 4.5 27.9 1.0 CB B:VAL488 4.6 20.0 1.0 CZ A:PHE391 4.7 27.0 1.0 CB B:GLN473 4.8 21.4 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Ilov-I486Z(2LT) at pH 9.0


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-I486Z(2LT) at pH 9.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl486 b:32.2 occ:1.00 CL2 B:2LT486 0.0 32.2 1.0 CE2 B:2LT486 1.7 16.9 1.0 CZ B:2LT486 2.6 17.7 1.0 CD2 B:2LT486 2.7 15.2 1.0 OH B:2LT486 2.9 15.1 1.0 OD1 A:ASP408 3.1 31.4 1.0 CG2 B:VAL475 3.4 11.8 1.0 NH1 A:ARG418 3.4 15.8 1.0 CG B:GLN473 3.4 23.4 1.0 N A:ASP408 3.4 17.4 1.0 CG A:ASP408 3.6 32.3 1.0 CA A:SER407 3.9 16.9 1.0 CE1 B:2LT486 3.9 19.4 1.0 CG B:2LT486 4.0 18.5 1.0 C A:SER407 4.0 17.3 1.0 CB B:GLN473 4.1 21.4 1.0 OD2 A:ASP408 4.1 35.2 1.0 CB A:ASP408 4.2 24.6 1.0 O A:ALA406 4.3 25.5 1.0 O B:PRO474 4.3 17.8 1.0 CA A:ASP408 4.4 16.9 1.0 CD1 B:2LT486 4.5 18.0 1.0 CZ A:ARG418 4.5 18.4 1.0 CB A:SER407 4.6 17.0 1.0 O B:GLN473 4.7 17.1 1.0 CD B:GLN473 4.7 25.5 1.0 CZ A:PHE405 4.8 26.5 1.0 CB B:VAL475 4.8 15.4 1.0 N A:SER407 4.9 16.5 1.0 C B:PRO474 4.9 20.3 1.0 C B:GLN473 5.0 18.7 1.0 O B:HOH702 5.0 20.4 1.0 CE1 A:PHE405 5.0 23.3 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