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Chlorine in PDB 1sx2: Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods

Enzymatic activity of Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods

All present enzymatic activity of Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods:
3.2.1.17;

Protein crystallography data

The structure of Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods, PDB code: 1sx2 was solved by B.H.M.Mooers, B.W.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.00 / 1.06
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 60.199, 60.199, 95.242, 90.00, 90.00, 120.00
R / Rfree (%) 12.1 / 14.3

Other elements in 1sx2:

The structure of Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods also contains other interesting chemical elements:

Rubidium (Rb) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods (pdb code 1sx2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods, PDB code: 1sx2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 1sx2

Go back to Chlorine Binding Sites List in 1sx2
Chlorine binding site 1 out of 6 in the Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl611

b:13.5
occ:0.65
 CL A:CL611 0.0 13.5 0.7
CL A:CL611 1.8 29.3 0.3
N A:ASP127 3.2 11.2 0.2
N A:ASP127 3.2 10.8 0.8
C A:ARG125 3.4 9.7 1.0
N A:GLU128 3.4 11.4 1.0
N A:TRP126 3.5 9.8 1.0
CB A:ASP127 3.5 15.1 0.2
CA A:ARG125 3.6 10.2 1.0
CA A:ASP127 3.8 10.8 0.2
CB A:ASP127 3.8 11.9 0.8
CG A:GLU128 3.8 20.3 1.0
O A:ARG125 3.8 10.4 1.0
CA A:ASP127 3.9 11.3 0.8
CB A:ARG125 3.9 12.1 1.0
OE2 A:GLU128 4.0 57.2 1.0
C A:ASP127 4.1 10.6 0.8
C A:ASP127 4.1 10.9 0.2
C A:TRP126 4.1 9.6 1.0
CB A:GLU128 4.2 13.5 1.0
CD A:GLU128 4.3 33.8 1.0
CA A:TRP126 4.3 9.5 1.0
O A:HOH700 4.4 24.4 1.0
CA A:GLU128 4.4 11.9 1.0
CG A:ASP127 4.7 12.1 0.8
CG A:ARG125 4.7 16.3 1.0
CG A:ASP127 4.8 18.6 0.2
O A:HOH638 4.9 17.7 1.0
O A:HOH698 4.9 14.5 1.0
N A:ARG125 5.0 9.6 1.0

Chlorine binding site 2 out of 6 in 1sx2

Go back to Chlorine Binding Sites List in 1sx2
Chlorine binding site 2 out of 6 in the Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl611

b:29.3
occ:0.35
 CL A:CL611 0.0 29.3 0.3
CL A:CL611 1.8 13.5 0.7
N A:ASP127 3.0 11.2 0.2
N A:ASP127 3.0 10.8 0.8
CB A:ASP127 3.1 15.1 0.2
O A:HOH698 3.2 14.5 1.0
CB A:ASP127 3.4 11.9 0.8
N A:TRP126 3.6 9.8 1.0
CA A:ASP127 3.6 10.8 0.2
CG A:ASP127 3.7 12.1 0.8
CA A:ASP127 3.7 11.3 0.8
OD1 A:ASP127 3.8 12.1 0.8
CG A:ASP127 4.0 18.6 0.2
C A:TRP126 4.0 9.6 1.0
OD2 A:ASP127 4.1 23.5 0.2
C A:ARG125 4.1 9.7 1.0
CA A:TRP126 4.2 9.5 1.0
N A:GLU128 4.4 11.4 1.0
CB A:TRP126 4.4 10.3 1.0
OD2 A:ASP127 4.5 16.2 0.8
CA A:ARG125 4.5 10.2 1.0
C A:ASP127 4.6 10.6 0.8
C A:ASP127 4.6 10.9 0.2
O A:ARG125 4.8 10.4 1.0
O A:HOH638 4.9 17.7 1.0

Chlorine binding site 3 out of 6 in 1sx2

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Chlorine binding site 3 out of 6 in the Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl612

b:11.4
occ:0.77
 O A:HOH1242 2.6 15.3 0.8
O A:HOH827 3.0 14.1 1.0
N A:ARG145 3.2 7.9 0.5
N A:ARG145 3.2 8.1 0.5
N A:ASN144 3.3 7.6 1.0
C A:THR142 3.4 7.4 1.0
O A:HOH1001 3.5 20.5 1.0
CA A:THR142 3.5 7.8 1.0
CB A:THR142 3.6 8.4 1.0
N A:PRO143 3.7 7.4 1.0
O A:THR142 3.8 8.1 1.0
CB A:ARG145 3.8 9.7 0.5
CB A:ASN144 3.8 9.3 1.0
CA A:ASN144 3.8 8.3 1.0
CB A:ARG145 3.9 8.9 0.5
C A:ASN144 4.0 7.8 1.0
CD A:PRO143 4.1 8.1 1.0
CA A:ARG145 4.2 8.0 0.5
CA A:ARG145 4.2 8.0 0.5
C A:PRO143 4.2 7.2 1.0
CG2 A:THR142 4.3 9.2 1.0
CA A:PRO143 4.5 7.5 1.0
CG A:ASN144 4.8 10.6 1.0
CG A:PRO143 4.8 8.4 1.0
OG1 A:THR142 4.8 9.5 1.0
N A:THR142 4.9 7.6 1.0
O A:HOH646 4.9 14.2 1.0

Chlorine binding site 4 out of 6 in 1sx2

Go back to Chlorine Binding Sites List in 1sx2
Chlorine binding site 4 out of 6 in the Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl613

b:13.5
occ:0.62
 O A:HOH676 3.0 15.5 1.0
NZ A:LYS135 3.2 20.7 1.0
ND2 A:ASN132 3.3 16.6 1.0
CB A:ASN132 3.7 10.7 1.0
CA A:ASN132 3.7 9.4 1.0
CE A:LYS135 3.8 14.1 1.0
CG1 A:VAL131 3.9 13.3 1.0
CG A:ASN132 4.0 12.9 1.0
CD A:LYS135 4.0 13.2 1.0
N A:ASN132 4.0 9.9 1.0
C A:VAL131 4.4 9.7 1.0
O A:HOH713 4.6 32.8 1.0
O A:VAL131 4.6 10.1 1.0
CE A:MET120 4.7 18.3 1.0
CB A:VAL131 4.8 11.5 1.0
O A:GLU128 4.8 10.9 1.0
O A:HOH848 4.9 20.4 1.0

Chlorine binding site 5 out of 6 in 1sx2

Go back to Chlorine Binding Sites List in 1sx2
Chlorine binding site 5 out of 6 in the Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl614

b:8.8
occ:0.74
 O A:HOH837 3.2 16.0 1.0
O A:HOH828 3.3 10.8 1.0
O A:HOH634 3.3 9.8 1.0
CE1 A:HIS31 3.6 9.3 1.0
NE2 A:HIS31 3.9 10.3 1.0
CB A:ALA49 4.1 10.9 1.0
O A:HOH1255 4.5 33.9 1.0
CA A:ALA49 4.6 9.5 1.0
OE1 A:GLN69 4.8 10.6 1.0
CD2 A:LEU66 4.8 14.7 1.0
ND1 A:HIS31 4.8 8.9 1.0
O A:HOH619 4.8 10.2 1.0

Chlorine binding site 6 out of 6 in 1sx2

Go back to Chlorine Binding Sites List in 1sx2
Chlorine binding site 6 out of 6 in the Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Use of A Halide Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl615

b:37.2
occ:0.54
 N A:ASN40 3.0 24.2 1.0
O A:HOH677 3.0 33.5 1.0
OG A:SER38 3.2 28.4 1.0
N A:LEU39 3.4 21.4 1.0
CB A:ASN40 3.6 33.4 1.0
CG A:ASN40 3.6 40.1 1.0
ND2 A:ASN40 3.8 48.5 1.0
CA A:SER38 3.9 24.4 1.0
CA A:ASN40 3.9 24.2 1.0
C A:SER38 3.9 21.2 1.0
C A:LEU39 4.0 18.8 1.0
CB A:SER38 4.0 26.7 1.0
CA A:LEU39 4.0 21.2 1.0
CB A:LEU39 4.1 23.4 1.0
OD1 A:ASN40 4.1 42.4 1.0
O A:SER38 4.8 21.1 1.0
O A:HOH1866 4.9 43.1 1.0

Reference:

B.H.Mooers, B.W.Matthews. Use of An Ion-Binding Site to Bypass the 1000-Atom Limit to Structure Determination By Direct Methods. Acta Crystallogr.,Sect.D V. 60 1726 2004.
ISSN: ISSN 0907-4449
PubMed: 15388918
DOI: 10.1107/S0907444904017020
Page generated: Sat Dec 12 08:49:24 2020

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