Chlorine in PDB 4nxe: Crystal Structure of Ilov-I486(2LT) at pH 6.5

All present enzymatic activity of Crystal Structure of Ilov-I486(2LT) at pH 6.5:
2.7.11.1;

The structure of Crystal Structure of Ilov-I486(2LT) at pH 6.5, PDB code: 4nxe 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)	29.35 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.474, 65.430, 49.565, 90.00, 102.67, 90.00
R / Rfree (%)	20.5 / 25.3

The binding sites of Chlorine atom in the Crystal Structure of Ilov-I486(2LT) at pH 6.5 (pdb code 4nxe). 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 6.5, PDB code: 4nxe:
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 6.5


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 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl486 b:47.3 occ:1.00 CL1 A:2LT486 0.0 47.3 1.0 CE1 A:2LT486 1.7 25.8 1.0 CZ A:2LT486 2.7 18.9 1.0 CD1 A:2LT486 2.7 21.2 1.0 OH A:2LT486 2.9 17.1 1.0 O A:HOH1119 3.3 18.1 1.0 CG2 A:VAL488 3.4 22.2 1.0 O A:HOH1120 3.7 24.0 1.0 CD2 A:HIS471 3.8 24.3 1.0 CE2 A:2LT486 4.0 19.6 1.0 CG A:2LT486 4.0 17.2 1.0 CE2 B:PHE391 4.2 28.0 1.0 NE2 A:HIS471 4.3 19.2 1.0 CB A:VAL488 4.5 28.1 1.0 CD2 A:2LT486 4.5 11.7 1.0 N B:LYS389 4.5 45.4 1.0 CB B:SER407 4.6 13.2 1.0 O B:LYS389 4.6 33.9 1.0 CB A:GLN473 4.8 26.9 1.0 CZ B:PHE391 5.0 19.9 1.0 CG A:HIS471 5.0 24.9 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Ilov-I486(2LT) at pH 6.5


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 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl486 b:53.1 occ:1.00 CL2 A:2LT486 0.0 53.1 1.0 CE2 A:2LT486 1.7 19.6 1.0 CD2 A:2LT486 2.7 11.7 1.0 CZ A:2LT486 2.7 18.9 1.0 OH A:2LT486 3.0 17.1 1.0 NH2 B:ARG418 3.3 17.3 1.0 N B:ASP408 3.3 13.9 1.0 CG2 A:VAL475 3.4 23.1 1.0 CG A:GLN473 3.5 28.4 1.0 OD1 B:ASP408 3.6 49.8 1.0 CA B:SER407 3.7 18.6 1.0 CG B:ASP408 3.8 40.5 1.0 C B:SER407 3.9 22.0 1.0 CG A:2LT486 4.0 17.2 1.0 CE1 A:2LT486 4.0 25.8 1.0 O B:ALA406 4.0 20.0 1.0 CB B:ASP408 4.2 28.0 1.0 CA B:ASP408 4.3 19.2 1.0 OD2 B:ASP408 4.3 33.7 1.0 CB A:GLN473 4.3 26.9 1.0 CZ B:ARG418 4.4 21.2 1.0 O A:PRO474 4.5 20.0 1.0 CB B:SER407 4.5 13.2 1.0 CD1 A:2LT486 4.5 21.2 1.0 CD A:GLN473 4.7 33.6 1.0 CB A:VAL475 4.7 25.2 1.0 N B:SER407 4.8 17.5 1.0 CZ B:PHE405 4.8 15.7 1.0 C B:ALA406 4.8 20.7 1.0 O A:GLN473 4.9 13.9 1.0 O B:SER407 5.0 16.0 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Ilov-I486(2LT) at pH 6.5


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 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl486 b:47.9 occ:1.00 CL1 B:2LT486 0.0 47.9 1.0 CE1 B:2LT486 1.7 30.5 1.0 CZ B:2LT486 2.7 17.1 1.0 CD1 B:2LT486 2.7 21.3 1.0 OH B:2LT486 2.9 24.1 1.0 O B:HOH1115 3.1 20.2 1.0 CG2 B:VAL488 3.4 27.9 1.0 O B:HOH1116 3.6 35.7 1.0 N A:LYS389 3.6 42.9 1.0 CD2 B:HIS471 3.8 21.5 1.0 CE2 B:2LT486 4.0 19.8 1.0 CG B:2LT486 4.0 24.5 1.0 CE2 A:PHE391 4.2 32.8 1.0 NE2 B:HIS471 4.4 29.3 1.0 O A:LYS389 4.4 26.2 1.0 CB B:VAL488 4.5 26.9 1.0 CD2 B:2LT486 4.5 17.2 1.0 CB A:SER407 4.6 19.1 1.0 CZ A:PHE391 4.9 25.9 1.0 CA A:LYS389 4.9 35.4 1.0 CB B:GLN473 4.9 29.8 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Ilov-I486(2LT) at pH 6.5


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 6.5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl486 b:48.7 occ:1.00 CL2 B:2LT486 0.0 48.7 1.0 CE2 B:2LT486 1.7 19.8 1.0 CD2 B:2LT486 2.7 17.2 1.0 CZ B:2LT486 2.7 17.1 1.0 OH B:2LT486 3.0 24.1 1.0 NH2 A:ARG418 3.0 19.9 1.0 N A:ASP408 3.4 18.4 1.0 CG2 B:VAL475 3.4 24.9 1.0 CG B:GLN473 3.6 31.9 1.0 OD1 A:ASP408 3.6 41.6 1.0 CG A:ASP408 3.7 39.8 1.0 CA A:SER407 3.8 20.5 1.0 C A:SER407 4.0 18.3 1.0 CG B:2LT486 4.0 24.5 1.0 CE1 B:2LT486 4.0 30.5 1.0 OD2 A:ASP408 4.0 40.6 1.0 O A:ALA406 4.1 23.6 1.0 CZ A:ARG418 4.1 25.7 1.0 CB A:ASP408 4.3 26.4 1.0 CA A:ASP408 4.3 25.9 1.0 CB B:GLN473 4.3 29.8 1.0 CD1 B:2LT486 4.5 21.3 1.0 O B:PRO474 4.6 15.8 1.0 CB A:SER407 4.6 19.1 1.0 CZ A:PHE405 4.8 30.6 1.0 CD B:GLN473 4.8 30.0 1.0 NH1 A:ARG418 4.8 20.2 1.0 N A:SER407 4.8 18.3 1.0 CB B:VAL475 4.8 30.0 1.0 C A:ALA406 4.8 20.4 1.0 CE2 A:PHE405 4.9 23.8 1.0 NE A:ARG418 5.0 23.1 1.0 O B:HOH1116 5.0 35.7 1.0 O B:GLN473 5.0 15.6 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