Chlorine in PDB 9b7f: S_SAD Structure of Hewl Using Lossless Default Compression

Enzymatic activity of S_SAD Structure of Hewl Using Lossless Default Compression

All present enzymatic activity of S_SAD Structure of Hewl Using Lossless Default Compression:
3.2.1.17;

Protein crystallography data

The structure of S_SAD Structure of Hewl Using Lossless Default Compression, PDB code: 9b7f 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 (°) 78.895, 78.895, 36.955, 90, 90, 90
R / Rfree (%) 15.9 / 19.8

Other elements in 9b7f:

The structure of S_SAD Structure of Hewl Using Lossless Default Compression 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 Lossless Default Compression (pdb code 9b7f). 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 Lossless Default Compression, PDB code: 9b7f:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 9b7f

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Chlorine binding site 1 out of 8 in the S_SAD Structure of Hewl Using Lossless Default Compression


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 Lossless Default Compression within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:11.6
occ:1.00
 O A:HOH368 3.1 5.6 1.0
O A:HOH404 3.1 23.7 1.0
N A:THR69 3.2 9.1 1.0
O A:HOH407 3.2 18.2 1.0
O A:THR69 3.3 9.3 1.0
O A:HOH346 3.4 20.6 1.0
N A:ARG68 3.5 9.2 1.0
C A:GLY67 3.5 8.9 1.0
OG A:SER72 3.6 11.2 1.0
CA A:GLY67 3.6 8.6 1.0
N A:GLY67 3.6 8.2 1.0
C A:THR69 3.7 9.9 1.0
OD1 A:ASN65 3.7 9.1 1.0
CA A:THR69 3.9 9.1 1.0
O A:HOH377 4.1 9.3 1.0
O A:GLY67 4.2 10.1 1.0
C A:ARG68 4.2 9.8 1.0
CB A:THR69 4.2 9.0 1.0
OD1 A:ASP66 4.3 7.5 1.0
CA A:ARG68 4.3 9.5 0.5
CA A:ARG68 4.3 9.3 0.5
N A:PRO70 4.6 10.9 1.0
NA A:NA213 4.7 9.9 1.0
O A:HOH378 4.8 16.3 0.5
CB A:SER72 4.8 10.3 1.0
C A:ASP66 4.8 7.7 1.0
OG1 A:THR69 4.8 9.2 1.0
N A:ASP66 4.9 6.7 1.0
CG A:ASN65 5.0 8.1 1.0

Chlorine binding site 2 out of 8 in 9b7f

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Chlorine binding site 2 out of 8 in the S_SAD Structure of Hewl Using Lossless Default Compression


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 Lossless Default Compression within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:11.3
occ:1.00
 OH A:TYR23 3.0 6.0 1.0
O A:HOH350 3.4 12.2 1.0
CZ A:TYR23 3.7 6.0 1.0
CE2 A:TYR23 3.7 5.9 1.0
CA A:GLY104 4.1 7.4 1.0
O A:ARG21 4.6 9.2 1.0
N A:GLY104 4.7 8.2 1.0
O A:HOH302 4.8 20.1 0.5
CE1 A:TYR23 4.9 5.8 1.0
CD2 A:TYR23 4.9 5.9 1.0

Chlorine binding site 3 out of 8 in 9b7f

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Chlorine binding site 3 out of 8 in the S_SAD Structure of Hewl Using Lossless Default Compression


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 Lossless Default Compression within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:21.6
occ:1.00
 ND2 A:ASN65 3.0 8.6 1.0
CA A:GLY67 3.6 8.6 1.0
N A:GLY67 4.1 8.2 1.0
CG A:ASN65 4.1 8.1 1.0
OD1 A:ASN65 4.3 9.1 1.0
O A:HOH346 4.3 20.6 1.0
C A:ASP66 4.6 7.7 1.0
O A:ASP66 4.9 8.2 1.0
C A:GLY67 5.0 8.9 1.0

Chlorine binding site 4 out of 8 in 9b7f

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Chlorine binding site 4 out of 8 in the S_SAD Structure of Hewl Using Lossless Default Compression


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 Lossless Default Compression within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:18.2
occ:1.00
 O A:HOH381 2.6 30.6 1.0
OG A:SER24 3.0 9.9 1.0
N A:GLY26 3.1 7.0 1.0
CB A:SER24 3.5 9.3 1.0
CA A:GLY26 3.5 6.7 1.0
CA A:GLN121 3.6 14.0 1.0
CB A:GLN121 3.9 19.3 1.0
CD1 A:ILE124 3.9 11.2 0.5
N A:GLN121 4.0 12.8 1.0
CG1 A:ILE124 4.0 11.7 0.5
N A:LEU25 4.2 8.8 1.0
CG1 A:ILE124 4.3 11.5 0.5
O A:VAL120 4.3 11.0 1.0
CG A:GLN121 4.3 26.5 1.0
C A:LEU25 4.3 7.8 1.0
CG2 A:VAL120 4.3 10.8 1.0
C A:VAL120 4.3 11.5 1.0
C A:SER24 4.4 8.8 1.0
C A:GLY26 4.5 6.3 1.0
CD1 A:ILE124 4.5 11.6 0.5
CA A:SER24 4.5 8.7 1.0
N A:ASN27 4.6 6.3 1.0
CA A:LEU25 4.7 8.2 1.0
C A:GLN121 4.8 12.0 1.0
O A:SER24 4.8 9.0 1.0
O A:HOH403 4.9 25.1 1.0
NE2 A:GLN121 5.0 40.4 1.0
CG2 A:ILE124 5.0 11.6 0.5
CD A:GLN121 5.0 35.6 1.0

Chlorine binding site 5 out of 8 in 9b7f

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Chlorine binding site 5 out of 8 in the S_SAD Structure of Hewl Using Lossless Default Compression


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 Lossless Default Compression within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl209

b:23.2
occ:1.00
 N A:ILE88 3.4 11.3 1.0
O A:HOH311 3.5 23.1 1.0
CG1 A:ILE88 3.6 10.5 1.0
CE1 A:HIS15 4.0 17.9 1.0
CA A:ASP87 4.0 12.6 1.0
O A:SER86 4.0 12.4 1.0
OD1 A:ASP87 4.1 15.8 1.0
CB A:ILE88 4.2 10.4 1.0
CG2 A:ILE88 4.2 11.1 1.0
CZ A:PHE3 4.3 9.6 1.0
CA A:ILE88 4.3 10.7 1.0
C A:ASP87 4.3 11.2 1.0
CB A:ALA11 4.4 10.7 1.0
CD1 A:ILE88 4.6 10.9 1.0
CG A:ASP87 4.6 17.9 1.0
ND1 A:HIS15 4.7 17.5 1.0
CB A:ASP87 4.7 14.5 1.0
NE2 A:HIS15 4.8 19.9 1.0
CE2 A:PHE3 4.8 8.9 1.0
C A:SER86 4.8 12.3 1.0
N A:ASP87 4.8 11.3 1.0
N A:THR89 5.0 10.8 1.0

Chlorine binding site 6 out of 8 in 9b7f

Go back to Chlorine Binding Sites List in 9b7f
Chlorine binding site 6 out of 8 in the S_SAD Structure of Hewl Using Lossless Default Compression


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 Lossless Default Compression within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:25.6
occ:1.00
 N A:ASN74 3.1 9.6 1.0
NE A:ARG73 3.2 16.7 1.0
C A:ASN74 3.8 9.7 1.0
O A:ASN74 3.8 10.3 1.0
CB A:ARG73 3.9 11.0 1.0
CA A:ASN74 3.9 9.2 1.0
CD A:ARG73 3.9 15.1 1.0
CA A:ARG73 3.9 10.3 1.0
C A:ARG73 4.1 10.1 1.0
CZ A:ARG73 4.2 17.1 1.0
NH2 A:ARG73 4.2 19.6 1.0
CB A:ASN74 4.2 9.5 1.0
N A:LEU75 4.3 10.0 1.0
CD2 A:LEU75 4.3 13.6 1.0
CG A:ARG73 4.5 13.0 1.0
CA A:LEU75 4.7 10.4 1.0
O A:HOH402 4.8 28.1 1.0
CG A:LEU75 4.9 12.8 1.0

Chlorine binding site 7 out of 8 in 9b7f

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Chlorine binding site 7 out of 8 in the S_SAD Structure of Hewl Using Lossless Default Compression


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 Lossless Default Compression within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl211

b:21.7
occ:1.00
 NZ A:LYS33 3.5 12.5 1.0
CE2 A:PHE38 3.7 6.8 1.0
CZ3 A:TRP123 3.9 10.3 1.0
CE A:LYS33 4.0 10.7 1.0
CD A:LYS33 4.2 8.8 1.0
CD A:ARG5 4.2 12.3 1.0
CB A:ARG5 4.4 10.9 1.0
CZ A:PHE38 4.4 6.8 1.0
O A:HOH387 4.5 33.5 1.0
CD2 A:PHE38 4.6 6.6 1.0
CG A:ARG5 4.7 11.8 1.0
CH2 A:TRP123 4.7 10.2 1.0
CE3 A:TRP123 4.8 10.1 1.0
NE A:ARG5 4.8 13.0 1.0
O2 A:EDO201 4.9 35.6 1.0

Chlorine binding site 8 out of 8 in 9b7f

Go back to Chlorine Binding Sites List in 9b7f
Chlorine binding site 8 out of 8 in the S_SAD Structure of Hewl Using Lossless Default Compression


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 Lossless Default Compression within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl212

b:21.4
occ:1.00
 O A:HOH396 3.1 16.5 1.0
ND2 A:ASN65 3.3 8.6 1.0
CB A:PRO79 3.6 8.3 1.0
CA A:PRO79 3.7 7.6 1.0
CB A:ASN65 3.9 7.5 1.0
N A:PRO79 3.9 7.6 1.0
CG A:ASN65 4.1 8.1 1.0
CD A:PRO79 4.3 7.9 1.0
O A:ASN65 4.3 6.5 1.0
CG A:PRO79 4.4 8.4 1.0
C A:ILE78 4.5 7.8 1.0
O A:ILE78 4.7 7.2 1.0
ND2 A:ASN74 4.8 9.3 1.0
O A:HOH400 4.9 30.3 1.0
C A:ASN65 4.9 6.8 1.0
CA A:ASN65 4.9 7.1 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: Tue Jul 30 13:59:07 2024

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