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Chlorine in PDB 3ls2: Crystal Structure of An S-Formylglutathione Hydrolase From Pseudoalteromonas Haloplanktis TAC125

Protein crystallography data

The structure of Crystal Structure of An S-Formylglutathione Hydrolase From Pseudoalteromonas Haloplanktis TAC125, PDB code: 3ls2 was solved by V.Alterio, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.490, 129.750, 152.670, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 20.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of An S-Formylglutathione Hydrolase From Pseudoalteromonas Haloplanktis TAC125 (pdb code 3ls2). 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 An S-Formylglutathione Hydrolase From Pseudoalteromonas Haloplanktis TAC125, PDB code: 3ls2:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3ls2

Go back to Chlorine Binding Sites List in 3ls2
Chlorine binding site 1 out of 4 in the Crystal Structure of An S-Formylglutathione Hydrolase From Pseudoalteromonas Haloplanktis TAC125


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 An S-Formylglutathione Hydrolase From Pseudoalteromonas Haloplanktis TAC125 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl281

b:39.5
occ:1.00
 ND1 A:HIS116 2.7 15.4 1.0
N A:HIS116 2.7 13.2 1.0
O A:PRO112 2.8 10.6 1.0
O A:TYR113 3.1 15.4 1.0
CB A:HIS116 3.3 12.7 1.0
C A:TYR113 3.4 13.9 1.0
CA A:TYR113 3.4 12.7 1.0
CG A:HIS116 3.4 14.0 1.0
CD A:PRO91 3.4 14.9 1.0
CA A:HIS116 3.5 13.0 1.0
N A:THR115 3.6 14.8 1.0
CB A:THR115 3.6 15.6 1.0
CD1 A:PHE117 3.6 9.8 1.0
C A:THR115 3.7 13.7 1.0
C A:PRO112 3.7 12.4 1.0
CG A:PRO91 3.7 12.9 1.0
CA A:THR115 3.8 14.9 1.0
CE1 A:HIS116 3.8 13.8 1.0
N A:PHE117 3.9 12.5 1.0
N A:TYR113 3.9 12.4 1.0
CE1 A:PHE117 4.0 11.8 1.0
C A:HIS116 4.2 13.6 1.0
N A:ASN114 4.3 15.4 1.0
CG2 A:THR115 4.5 16.2 1.0
C A:ASN114 4.6 16.3 1.0
OG1 A:THR115 4.6 18.0 1.0
CD2 A:HIS116 4.6 15.2 1.0
CB A:TYR113 4.6 11.8 1.0
CB A:PRO91 4.8 15.1 1.0
NE2 A:HIS116 4.8 15.2 1.0
CG A:PHE117 4.8 10.4 1.0
O A:THR115 4.8 11.5 1.0
N A:PRO91 4.8 15.4 1.0
CG1 A:VAL90 4.9 15.1 1.0

Chlorine binding site 2 out of 4 in 3ls2

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Chlorine binding site 2 out of 4 in the Crystal Structure of An S-Formylglutathione Hydrolase From Pseudoalteromonas Haloplanktis TAC125


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 An S-Formylglutathione Hydrolase From Pseudoalteromonas Haloplanktis TAC125 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl281

b:28.5
occ:1.00
 O B:PRO112 2.7 12.4 1.0
ND1 B:HIS116 2.8 9.7 1.0
N B:HIS116 2.8 13.4 1.0
O B:TYR113 3.3 13.2 1.0
CA B:TYR113 3.4 12.2 1.0
C B:TYR113 3.4 13.0 1.0
CG B:PRO91 3.4 12.2 1.0
CD B:PRO91 3.5 10.8 1.0
CB B:HIS116 3.5 10.3 1.0
CG B:HIS116 3.5 9.5 1.0
N B:THR115 3.6 15.1 1.0
CA B:HIS116 3.6 12.0 1.0
CD1 B:PHE117 3.7 10.7 1.0
C B:PRO112 3.7 12.7 1.0
CB B:THR115 3.7 13.3 1.0
C B:THR115 3.8 13.2 1.0
CA B:THR115 3.8 13.2 1.0
CE1 B:HIS116 3.8 8.5 1.0
N B:PHE117 3.9 9.2 1.0
N B:TYR113 4.0 11.8 1.0
CE1 B:PHE117 4.1 12.4 1.0
N B:ASN114 4.2 13.9 1.0
C B:HIS116 4.3 11.2 1.0
C B:ASN114 4.5 15.4 1.0
OG1 B:THR115 4.5 12.7 1.0
CB B:TYR113 4.6 12.1 1.0
CG2 B:THR115 4.7 11.7 1.0
CD2 B:HIS116 4.7 8.4 1.0
CG B:PHE117 4.8 11.4 1.0
N B:PRO91 4.8 9.5 1.0
NE2 B:HIS116 4.9 8.9 1.0
CB B:PRO91 4.9 9.2 1.0
CG1 B:VAL90 4.9 8.3 1.0
O B:THR115 4.9 13.6 1.0
CA B:ASN114 4.9 15.3 1.0

Chlorine binding site 3 out of 4 in 3ls2

Go back to Chlorine Binding Sites List in 3ls2
Chlorine binding site 3 out of 4 in the Crystal Structure of An S-Formylglutathione Hydrolase From Pseudoalteromonas Haloplanktis TAC125


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 An S-Formylglutathione Hydrolase From Pseudoalteromonas Haloplanktis TAC125 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl281

b:26.3
occ:1.00
 N C:HIS116 2.7 10.9 1.0
O C:PRO112 2.8 14.7 1.0
ND1 C:HIS116 2.9 8.1 1.0
O C:TYR113 3.2 11.0 1.0
CB C:HIS116 3.3 8.8 1.0
CA C:TYR113 3.3 11.8 1.0
C C:TYR113 3.3 12.5 1.0
CD C:PRO91 3.4 12.5 1.0
CA C:HIS116 3.4 9.9 1.0
CG C:HIS116 3.5 9.3 1.0
CD1 C:PHE117 3.6 11.9 1.0
CG C:PRO91 3.7 13.0 1.0
N C:THR115 3.7 11.5 1.0
C C:THR115 3.7 11.0 1.0
N C:PHE117 3.8 10.3 1.0
C C:PRO112 3.8 14.4 1.0
CB C:THR115 3.8 12.2 1.0
CA C:THR115 3.9 11.5 1.0
N C:TYR113 4.0 14.3 1.0
CE1 C:PHE117 4.1 13.4 1.0
CE1 C:HIS116 4.1 9.6 1.0
C C:HIS116 4.1 10.2 1.0
N C:ASN114 4.2 10.9 1.0
CB C:TYR113 4.5 13.3 1.0
C C:ASN114 4.5 11.4 1.0
O C:HOH354 4.6 24.1 1.0
CB C:PRO91 4.7 11.9 1.0
OG1 C:THR115 4.7 11.8 1.0
CG C:PHE117 4.7 12.2 1.0
CD2 C:HIS116 4.8 8.9 1.0
CG2 C:THR115 4.8 9.1 1.0
N C:PRO91 4.8 12.1 1.0
CG1 C:VAL90 4.9 9.0 1.0
O C:THR115 4.9 12.9 1.0
CB C:PHE117 4.9 10.8 1.0
CA C:PHE117 5.0 10.5 1.0
O C:HOH661 5.0 38.5 1.0
CA C:ASN114 5.0 12.5 1.0

Chlorine binding site 4 out of 4 in 3ls2

Go back to Chlorine Binding Sites List in 3ls2
Chlorine binding site 4 out of 4 in the Crystal Structure of An S-Formylglutathione Hydrolase From Pseudoalteromonas Haloplanktis TAC125


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 An S-Formylglutathione Hydrolase From Pseudoalteromonas Haloplanktis TAC125 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl281

b:39.4
occ:1.00
 N D:HIS116 2.8 16.8 1.0
O D:PRO112 2.8 20.6 1.0
ND1 D:HIS116 2.8 20.8 1.0
O D:TYR113 3.2 14.9 1.0
C D:TYR113 3.4 15.0 1.0
CB D:HIS116 3.4 18.6 1.0
CA D:TYR113 3.4 15.9 1.0
CD D:PRO91 3.4 20.3 1.0
CG D:HIS116 3.5 21.0 1.0
CA D:HIS116 3.5 16.7 1.0
N D:THR115 3.6 16.0 1.0
CD1 D:PHE117 3.6 12.3 1.0
CB D:THR115 3.7 14.9 1.0
O D:HOH340 3.7 20.3 1.0
C D:THR115 3.7 16.1 1.0
CG D:PRO91 3.7 18.7 1.0
C D:PRO112 3.8 19.1 1.0
CA D:THR115 3.8 15.9 1.0
N D:PHE117 3.9 14.0 1.0
CE1 D:HIS116 3.9 22.8 1.0
N D:TYR113 4.0 18.2 1.0
CE1 D:PHE117 4.1 12.7 1.0
C D:HIS116 4.2 15.0 1.0
N D:ASN114 4.2 16.2 1.0
C D:ASN114 4.5 16.8 1.0
OG1 D:THR115 4.6 15.4 1.0
CB D:TYR113 4.6 15.2 1.0
CG1 D:VAL90 4.7 19.6 1.0
CG2 D:THR115 4.7 14.2 1.0
CD2 D:HIS116 4.7 21.9 1.0
CB D:PRO91 4.8 19.8 1.0
CG D:PHE117 4.8 12.3 1.0
N D:PRO91 4.9 20.5 1.0
O D:THR115 4.9 16.2 1.0
NE2 D:HIS116 4.9 22.7 1.0
CA D:ASN114 5.0 15.9 1.0

Reference:

V.Alterio, V.Aurilia, A.Romanelli, A.Parracino, M.Saviano, S.D'auria, G.De Simone. Crystal Structure of An S-Formylglutathione Hydrolase From Pseudoalteromonas Haloplanktis TAC125. Biopolymers V. 93 669 2010.
ISSN: ISSN 0006-3525
PubMed: 20209484
DOI: 10.1002/BIP.21420
Page generated: Sat Jul 20 23:37:16 2024

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