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
Go back to
Chlorine Binding Sites List in 3ls2
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
|