Chlorine in PDB 4nxb: Crystal Structure of Ilov-I486(2LT) at pH 7.0

All present enzymatic activity of Crystal Structure of Ilov-I486(2LT) at pH 7.0:
2.7.11.1;

The structure of Crystal Structure of Ilov-I486(2LT) at pH 7.0, PDB code: 4nxb was solved by J.Wang, J.Li, X.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.45 / 2.56
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	33.978, 37.696, 53.968, 83.88, 78.35, 80.40
R / Rfree (%)	22.2 / 23.5

The binding sites of Chlorine atom in the Crystal Structure of Ilov-I486(2LT) at pH 7.0 (pdb code 4nxb). 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 7.0, PDB code: 4nxb:
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 7.0


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 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl486 b:18.2 occ:1.00 CL1 A:2LT486 0.0 18.2 1.0 CE1 A:2LT486 1.8 22.6 1.0 CZ A:2LT486 2.7 23.3 1.0 CD1 A:2LT486 2.7 21.7 1.0 OH A:2LT486 3.0 23.7 1.0 CG2 A:VAL488 3.5 18.3 1.0 CD2 A:HIS471 3.8 19.9 1.0 O B:LYS389 4.0 17.8 1.0 CG A:2LT486 4.0 21.2 1.0 CE2 A:2LT486 4.0 22.7 1.0 NE2 A:HIS471 4.0 20.4 1.0 CE2 B:PHE391 4.1 20.5 1.0 CB B:SER407 4.4 14.1 1.0 N B:LYS389 4.4 16.6 1.0 CB A:VAL488 4.5 18.8 1.0 CD2 A:2LT486 4.5 21.8 1.0 CB A:GLN473 4.6 16.8 1.0 CA B:LYS389 4.8 17.8 1.0 C B:LYS389 4.8 17.9 1.0 CD2 B:PHE391 4.9 19.9 1.0 CZ B:PHE391 5.0 20.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Ilov-I486(2LT) at pH 7.0


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 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl486 b:17.3 occ:1.00 CL2 A:2LT486 0.0 17.3 1.0 CE2 A:2LT486 1.8 22.7 1.0 CD2 A:2LT486 2.7 21.8 1.0 CZ A:2LT486 2.8 23.3 1.0 OH A:2LT486 3.0 23.7 1.0 NH2 B:ARG418 3.2 17.5 1.0 N B:ASP408 3.4 15.9 1.0 CG A:GLN473 3.5 17.4 1.0 CA B:SER407 3.6 15.6 1.0 CG2 A:VAL475 3.8 12.4 1.0 O B:ALA406 3.8 19.4 1.0 OD1 B:ASP408 3.9 17.5 1.0 CG B:ASP408 3.9 17.4 1.0 C B:SER407 4.0 15.8 1.0 CG A:2LT486 4.0 21.2 1.0 CE1 A:2LT486 4.0 22.6 1.0 O B:HOH1111 4.1 10.8 1.0 CZ B:ARG418 4.2 18.1 1.0 OD2 B:ASP408 4.2 18.0 1.0 CB B:SER407 4.4 14.1 1.0 CA B:ASP408 4.4 16.6 1.0 CB B:ASP408 4.4 16.7 1.0 CB A:GLN473 4.4 16.8 1.0 O A:PRO474 4.5 10.9 1.0 CD1 A:2LT486 4.5 21.7 1.0 N B:SER407 4.6 16.8 1.0 C B:ALA406 4.6 18.1 1.0 CG1 A:VAL475 4.7 12.8 1.0 CD A:GLN473 4.7 18.1 1.0 O A:GLN473 4.7 14.5 1.0 CB A:VAL475 4.8 12.8 1.0 O B:HOH1102 4.8 11.3 1.0 CZ B:PHE405 4.9 17.0 1.0 CE1 B:PHE405 4.9 17.3 1.0 NE B:ARG418 4.9 18.6 1.0 NE2 A:GLN473 4.9 18.6 1.0 NH1 B:ARG418 5.0 18.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Ilov-I486(2LT) at pH 7.0


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 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl486 b:19.9 occ:1.00 CL1 B:2LT486 0.0 19.9 1.0 CE1 B:2LT486 1.8 16.2 1.0 CZ B:2LT486 2.7 16.3 1.0 CD1 B:2LT486 2.7 16.4 1.0 OH B:2LT486 3.0 15.3 1.0 O B:HOH1109 3.1 10.8 1.0 O B:HOH1116 3.5 14.5 1.0 CD2 B:HIS471 3.8 19.1 1.0 CG2 B:VAL488 3.8 15.1 1.0 O A:LYS389 4.0 22.1 1.0 CG B:2LT486 4.0 16.7 1.0 CE2 B:2LT486 4.0 16.9 1.0 NE2 B:HIS471 4.1 19.3 1.0 N A:LYS389 4.2 23.4 1.0 CE2 A:PHE391 4.2 20.1 1.0 CB B:GLN473 4.4 18.4 1.0 CD2 B:2LT486 4.5 17.1 1.0 CB A:SER407 4.6 9.9 1.0 CZ A:PHE391 4.8 20.1 1.0 CB B:VAL488 4.9 15.5 1.0 C A:LYS389 5.0 22.2 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Ilov-I486(2LT) at pH 7.0


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 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl486 b:24.2 occ:1.00 CL2 B:2LT486 0.0 24.2 1.0 CE2 B:2LT486 1.8 16.9 1.0 CD2 B:2LT486 2.7 17.1 1.0 CZ B:2LT486 2.8 16.3 1.0 OH B:2LT486 3.0 15.3 1.0 NH2 A:ARG418 3.1 14.2 1.0 CG2 B:VAL475 3.6 17.3 1.0 CG B:GLN473 3.6 19.0 1.0 N A:ASP408 3.6 12.6 1.0 CA A:SER407 3.7 10.4 1.0 O A:ALA406 4.0 10.2 1.0 C A:SER407 4.0 10.7 1.0 CG B:2LT486 4.0 16.7 1.0 OD1 A:ASP408 4.0 18.4 1.0 CE1 B:2LT486 4.0 16.2 1.0 CG A:ASP408 4.1 17.6 1.0 CZ A:ARG418 4.1 14.3 1.0 OD2 A:ASP408 4.3 18.3 1.0 O A:HOH1105 4.3 28.6 1.0 CB B:GLN473 4.4 18.4 1.0 CG1 B:VAL475 4.4 16.1 1.0 CB A:SER407 4.5 9.9 1.0 CB A:ASP408 4.5 15.9 1.0 CA A:ASP408 4.5 14.6 1.0 CD1 B:2LT486 4.5 16.4 1.0 CB B:VAL475 4.6 17.1 1.0 CZ A:PHE405 4.7 12.4 1.0 CE1 A:PHE405 4.7 12.5 1.0 O B:PRO474 4.7 16.0 1.0 NE A:ARG418 4.7 13.9 1.0 N A:SER407 4.7 10.1 1.0 CD B:GLN473 4.7 20.3 1.0 C A:ALA406 4.8 9.9 1.0 NH1 A:ARG418 4.9 13.9 1.0 O B:GLN473 4.9 18.4 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