Chlorine in PDB 2o6t: Crystal Structure of the PA5185 Protein From Pseudomonas Aeruginosa Strain PAO1- Orthorhombic Form (P2221).

The structure of Crystal Structure of the PA5185 Protein From Pseudomonas Aeruginosa Strain PAO1- Orthorhombic Form (P2221)., PDB code: 2o6t was solved by M.Chruszcz, K.D.Koclega, E.Evdokimova, M.Cymborowski, M.Kudritska, A.Savchenko, A.Edwards, W.Minor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.53 / 2.55
Space group	P 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	58.924, 97.083, 191.377, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 24.8

The binding sites of Chlorine atom in the Crystal Structure of the PA5185 Protein From Pseudomonas Aeruginosa Strain PAO1- Orthorhombic Form (P2221). (pdb code 2o6t). 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 the PA5185 Protein From Pseudomonas Aeruginosa Strain PAO1- Orthorhombic Form (P2221)., PDB code: 2o6t:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the PA5185 Protein From Pseudomonas Aeruginosa Strain PAO1- Orthorhombic Form (P2221).


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 PA5185 Protein From Pseudomonas Aeruginosa Strain PAO1- Orthorhombic Form (P2221). within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:60.9 occ:1.00 OD1 A:ASP41 3.3 32.3 1.0 ND2 A:ASN45 3.7 15.4 1.0 NE2 A:HIS118 3.9 16.6 1.0 OD2 A:ASP41 3.9 31.5 1.0 CG A:ASP41 3.9 26.8 1.0 CG2 A:VAL65 4.0 14.9 1.0 O A:GLY63 4.1 20.6 1.0 OD1 C:ASN33 4.2 26.0 1.0 OD1 A:ASN45 4.4 19.4 1.0 CG A:ASN45 4.5 17.3 1.0 O C:HOH153 4.6 24.3 1.0 CE1 A:HIS118 4.7 15.5 1.0 ND2 C:ASN32 4.8 21.4 1.0 CE2 C:TYR28 4.8 14.2 1.0 CD2 A:HIS118 4.8 14.0 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the PA5185 Protein From Pseudomonas Aeruginosa Strain PAO1- Orthorhombic Form (P2221).


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 PA5185 Protein From Pseudomonas Aeruginosa Strain PAO1- Orthorhombic Form (P2221). within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl201 b:52.0 occ:1.00 O E:GLY63 3.4 21.1 1.0 NE2 E:HIS118 3.5 14.7 1.0 OD1 E:ASP41 3.6 31.6 1.0 ND2 E:ASN45 3.7 16.0 1.0 CG2 E:VAL65 3.9 13.8 1.0 O E:HOH211 4.0 29.8 1.0 CZ2 G:TRP22 4.1 12.5 1.0 CE2 G:TRP22 4.2 15.0 1.0 OD1 E:ASN45 4.2 20.5 1.0 CG E:ASN45 4.3 17.7 1.0 CG E:ASP41 4.3 26.7 1.0 CD2 E:HIS118 4.4 14.7 1.0 CE1 E:HIS118 4.4 14.3 1.0 OD2 E:ASP41 4.4 28.5 1.0 NE1 G:TRP22 4.4 13.8 1.0 C E:GLY63 4.5 20.9 1.0 CH2 G:TRP22 4.7 12.2 1.0 N E:VAL65 4.8 17.9 1.0 CD2 G:TRP22 4.9 12.9 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the PA5185 Protein From Pseudomonas Aeruginosa Strain PAO1- Orthorhombic Form (P2221).


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 the PA5185 Protein From Pseudomonas Aeruginosa Strain PAO1- Orthorhombic Form (P2221). within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl201 b:63.3 occ:1.00 O G:GLY63 3.6 21.5 1.0 ND2 G:ASN45 3.6 16.3 1.0 OD1 G:ASP41 3.6 32.0 1.0 NE2 G:HIS118 3.8 14.3 1.0 CZ2 E:TRP22 3.9 13.9 1.0 CE2 E:TRP22 3.9 11.7 1.0 NE1 E:TRP22 4.0 12.6 1.0 O G:HOH225 4.1 26.1 1.0 OD2 G:ASP41 4.3 32.5 1.0 CG2 G:VAL65 4.3 15.7 1.0 OD1 G:ASN45 4.3 23.2 1.0 CG G:ASP41 4.3 26.6 1.0 CG G:ASN45 4.3 19.0 1.0 CH2 E:TRP22 4.6 14.5 1.0 CE1 G:HIS118 4.6 15.5 1.0 CD2 E:TRP22 4.6 12.1 1.0 CD1 E:TRP22 4.7 14.1 1.0 C G:GLY63 4.7 21.0 1.0 CD2 G:HIS118 4.8 16.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the PA5185 Protein From Pseudomonas Aeruginosa Strain PAO1- Orthorhombic Form (P2221).


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 the PA5185 Protein From Pseudomonas Aeruginosa Strain PAO1- Orthorhombic Form (P2221). within 5.0Å range: probe atom residue distance (Å) B Occ K:Cl201 b:67.7 occ:1.00 ND2 K:ASN45 3.2 16.8 1.0 OD1 K:ASP41 3.2 30.9 1.0 NE2 K:HIS118 3.3 14.6 1.0 O K:GLY63 3.7 20.5 1.0 CG2 K:VAL65 3.7 15.0 1.0 O I:HOH152 4.0 38.4 1.0 CG K:ASN45 4.1 18.3 1.0 CG K:ASP41 4.1 25.4 1.0 OD1 K:ASN45 4.1 19.7 1.0 CD2 K:HIS118 4.2 11.7 1.0 CE1 K:HIS118 4.2 12.0 1.0 OD2 K:ASP41 4.2 30.4 1.0 C K:GLY63 4.7 19.4 1.0 OD1 I:ASN33 4.7 23.7 1.0 N K:VAL65 4.8 17.9 1.0 CE2 I:TYR28 4.8 13.1 1.0 CB K:VAL65 5.0 16.9 1.0

M.Chruszcz, M.D.Zimmerman, S.Wang, K.D.Koclega, H.Zheng, E.Evdokimova, M.Kudritska, M.Cymborowski, A.Savchenko, A.Edwards, W.Minor. Function-Biased Choice of Additives For Optimization of Protein Crystallization - the Case of the Putative Thioesterase PA5185 From Pseudomonas Aeruginosa PAO1. Cryst.Growth Des. V. 8 4054 2008.
ISSN: ISSN 1528-7483
PubMed: 19898606
DOI: 10.1021/CG800430F