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Chlorine in PDB 9b7e: S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422

Enzymatic activity of S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422

All present enzymatic activity of S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422:
3.2.1.17;

Protein crystallography data

The structure of S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422, PDB code: 9b7e was solved by J.Jakoncic, H.J.Bernstein, A.S.Soares, K.Horvat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.73 / 1.65
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.893, 78.893, 36.952, 90, 90, 90
R / Rfree (%) 16.1 / 20

Other elements in 9b7e:

The structure of S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422 also contains other interesting chemical elements:

Sodium (Na) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422 (pdb code 9b7e). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422, PDB code: 9b7e:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 9b7e

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Chlorine binding site 1 out of 8 in the S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:8.6
occ:1.00
 O A:HOH362 3.0 2.8 1.0
N A:THR69 3.1 7.6 1.0
O A:HOH399 3.2 20.7 1.0
O A:HOH404 3.2 16.4 1.0
O A:THR69 3.3 7.3 1.0
O A:HOH345 3.4 19.6 1.0
N A:ARG68 3.5 7.7 1.0
C A:GLY67 3.5 7.4 1.0
CA A:GLY67 3.6 6.8 1.0
OG A:SER72 3.6 8.9 1.0
N A:GLY67 3.6 6.3 1.0
C A:THR69 3.7 7.9 1.0
OD1 A:ASN65 3.7 5.9 1.0
CA A:THR69 3.8 7.5 1.0
O A:HOH378 4.1 7.6 1.0
O A:GLY67 4.1 8.0 1.0
C A:ARG68 4.2 8.4 1.0
CB A:THR69 4.2 7.5 1.0
OD1 A:ASP66 4.3 5.4 1.0
CA A:ARG68 4.3 8.0 0.6
CA A:ARG68 4.4 8.5 0.4
N A:PRO70 4.6 8.8 1.0
NA A:NA213 4.7 7.7 1.0
C A:ASP66 4.8 5.8 1.0
O A:HOH372 4.8 16.2 0.5
CB A:SER72 4.8 8.6 1.0
OG1 A:THR69 4.8 7.4 1.0
N A:ASP66 4.9 5.1 1.0
CG A:ASN65 4.9 5.5 1.0

Chlorine binding site 2 out of 8 in 9b7e

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Chlorine binding site 2 out of 8 in the S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:9.0
occ:1.00
 OH A:TYR23 3.0 3.9 1.0
O A:HOH343 3.4 10.0 1.0
CZ A:TYR23 3.7 4.0 1.0
CE2 A:TYR23 3.7 4.0 1.0
CA A:GLY104 4.2 5.5 1.0
O A:ARG21 4.6 7.5 1.0
N A:GLY104 4.7 6.2 1.0
CE1 A:TYR23 4.9 3.9 1.0
CD2 A:TYR23 4.9 4.1 1.0

Chlorine binding site 3 out of 8 in 9b7e

Go back to Chlorine Binding Sites List in 9b7e
Chlorine binding site 3 out of 8 in the S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:20.1
occ:1.00
 O A:HOH412 3.0 25.7 1.0
ND2 A:ASN65 3.0 5.9 1.0
CA A:GLY67 3.7 6.8 1.0
N A:GLY67 4.1 6.3 1.0
CG A:ASN65 4.1 5.5 1.0
OD1 A:ASN65 4.3 5.9 1.0
O A:HOH345 4.3 19.6 1.0
C A:ASP66 4.6 5.8 1.0
O A:ASP66 4.9 6.4 1.0

Chlorine binding site 4 out of 8 in 9b7e

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Chlorine binding site 4 out of 8 in the S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:16.2
occ:1.00
 O A:HOH379 2.8 32.7 1.0
OG A:SER24 3.0 6.8 1.0
N A:GLY26 3.1 4.7 1.0
CG A:GLN121 3.4 18.4 0.6
CA A:GLY26 3.4 4.4 1.0
CB A:SER24 3.5 6.3 1.0
CA A:GLN121 3.6 10.6 0.4
CA A:GLN121 3.6 11.5 0.6
CB A:GLN121 3.7 11.8 0.4
CD1 A:ILE124 3.9 9.4 0.5
N A:GLN121 4.0 10.8 1.0
CG1 A:ILE124 4.0 9.8 0.5
CB A:GLN121 4.1 14.7 0.6
N A:LEU25 4.2 6.0 1.0
OE1 A:GLN121 4.2 15.1 0.4
C A:LEU25 4.3 5.3 1.0
CG1 A:ILE124 4.3 9.6 0.5
CG2 A:VAL120 4.3 8.7 1.0
O A:VAL120 4.3 9.5 1.0
C A:VAL120 4.3 9.6 1.0
C A:SER24 4.3 6.1 1.0
C A:GLY26 4.5 4.2 1.0
CA A:SER24 4.5 6.0 1.0
CD1 A:ILE124 4.6 9.9 0.5
N A:ASN27 4.6 4.1 1.0
CG A:GLN121 4.6 12.7 0.4
CD A:GLN121 4.6 21.3 0.6
CA A:LEU25 4.7 5.6 1.0
O A:SER24 4.8 6.5 1.0
C A:GLN121 4.8 10.1 1.0
CD A:GLN121 4.8 14.1 0.4
CG2 A:ILE124 5.0 9.7 0.5
CB A:LEU25 5.0 6.1 1.0
O A:HOH401 5.0 26.5 1.0

Chlorine binding site 5 out of 8 in 9b7e

Go back to Chlorine Binding Sites List in 9b7e
Chlorine binding site 5 out of 8 in the S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl209

b:20.5
occ:1.00
 N A:ILE88 3.4 9.3 1.0
O A:HOH316 3.5 20.2 1.0
O A:HOH311 3.5 20.9 1.0
CG1 A:ILE88 3.7 8.4 1.0
O A:SER86 3.9 9.7 1.0
CA A:ASP87 3.9 10.6 1.0
CE1 A:HIS15 4.1 14.4 1.0
OD1 A:ASP87 4.1 14.0 1.0
CB A:ILE88 4.2 8.2 1.0
CG2 A:ILE88 4.2 8.4 1.0
CZ A:PHE3 4.2 7.1 1.0
C A:ASP87 4.3 9.3 1.0
CA A:ILE88 4.3 8.7 1.0
CB A:ALA11 4.4 8.1 1.0
CD1 A:ILE88 4.6 8.8 1.0
CG A:ASP87 4.6 15.2 1.0
CE2 A:PHE3 4.7 6.8 1.0
CB A:ASP87 4.7 12.1 1.0
C A:SER86 4.8 9.5 1.0
N A:ASP87 4.8 9.3 1.0
ND1 A:HIS15 4.8 14.4 1.0
NE2 A:HIS15 4.9 15.1 1.0

Chlorine binding site 6 out of 8 in 9b7e

Go back to Chlorine Binding Sites List in 9b7e
Chlorine binding site 6 out of 8 in the S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:23.1
occ:1.00
 N A:ASN74 3.1 7.5 1.0
NE A:ARG73 3.2 13.9 1.0
C A:ASN74 3.8 7.3 1.0
O A:ASN74 3.8 7.5 1.0
CB A:ARG73 3.8 9.1 1.0
CA A:ASN74 3.9 7.2 1.0
CA A:ARG73 3.9 8.5 1.0
CD A:ARG73 3.9 12.4 1.0
C A:ARG73 4.0 8.0 1.0
CD1 A:LEU75 4.1 9.4 0.5
CZ A:ARG73 4.2 14.2 1.0
CB A:ASN74 4.2 7.1 1.0
NH2 A:ARG73 4.3 16.1 1.0
N A:LEU75 4.3 7.5 1.0
CD2 A:LEU75 4.4 7.3 0.5
CG A:ARG73 4.4 11.0 1.0
CA A:LEU75 4.7 7.6 0.5
CA A:LEU75 4.7 7.9 0.5
O A:HOH398 4.8 25.1 1.0
CG A:LEU75 4.8 7.8 0.5

Chlorine binding site 7 out of 8 in 9b7e

Go back to Chlorine Binding Sites List in 9b7e
Chlorine binding site 7 out of 8 in the S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl211

b:18.7
occ:1.00
 NZ A:LYS33 3.5 8.5 1.0
CE2 A:PHE38 3.7 4.9 1.0
CZ3 A:TRP123 3.9 8.3 1.0
CE A:LYS33 4.1 7.3 1.0
CD A:LYS33 4.1 6.3 1.0
CD A:ARG5 4.2 9.8 1.0
CB A:ARG5 4.4 8.8 1.0
CZ A:PHE38 4.4 4.9 1.0
O A:HOH381 4.5 31.4 1.0
CD2 A:PHE38 4.7 4.7 1.0
CG A:ARG5 4.7 9.4 1.0
CH2 A:TRP123 4.7 8.2 1.0
CE3 A:TRP123 4.8 8.0 1.0
NE A:ARG5 4.8 10.1 1.0
O1 A:EDO202 4.9 34.3 1.0

Chlorine binding site 8 out of 8 in 9b7e

Go back to Chlorine Binding Sites List in 9b7e
Chlorine binding site 8 out of 8 in the S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of S_SAD Structure of Hewl Using Lossy Compression Data with A Compression Ratio of 422 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl212

b:17.7
occ:1.00
 O A:HOH396 3.1 13.6 1.0
ND2 A:ASN65 3.3 5.9 1.0
CB A:PRO79 3.6 6.2 1.0
CA A:PRO79 3.7 5.8 1.0
CB A:ASN65 3.9 5.2 1.0
N A:PRO79 3.9 6.0 1.0
CG A:ASN65 4.1 5.5 1.0
CD A:PRO79 4.2 6.1 1.0
O A:ASN65 4.4 4.9 1.0
CG A:PRO79 4.4 6.4 1.0
C A:ILE78 4.5 6.2 1.0
O A:ILE78 4.6 5.8 1.0
ND2 A:ASN74 4.8 7.2 1.0
C A:ASN65 5.0 5.1 1.0
CA A:ASN65 5.0 5.2 1.0

Reference:

J.Jakoncic, H.J.Bernstein, A.S.Soares, K.Horvat. Investigation of Fast and Efficient Lossless Compression Algorithms For Macromolecular Crystallography Experiments To Be Published.
Page generated: Sun Jul 13 16:01:37 2025

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