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Chlorine in PDB 1swz: Use of An Ion-Binding Site to Bypass the 1000-Atom Limit to Ab Initio Structure Determination By Direct Methods

Enzymatic activity of Use of An Ion-Binding Site to Bypass the 1000-Atom Limit to Ab Initio Structure Determination By Direct Methods

All present enzymatic activity of Use of An Ion-Binding Site to Bypass the 1000-Atom Limit to Ab Initio Structure Determination By Direct Methods:
3.2.1.17;

Protein crystallography data

The structure of Use of An Ion-Binding Site to Bypass the 1000-Atom Limit to Ab Initio Structure Determination By Direct Methods, PDB code: 1swz 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 (%) 12.6 / 15.1

Other elements in 1swz:

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

Rubidium (Rb) 7 atoms

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 4 in 1swz

Go back to Chlorine Binding Sites List in 1swz
Chlorine binding site 1 out of 4 in the Use of An Ion-Binding Site to Bypass the 1000-Atom Limit to Ab Initio 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 An Ion-Binding Site to Bypass the 1000-Atom Limit to Ab Initio Structure Determination By Direct Methods within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl611

b:11.7
occ:0.50
N A:ASP127 3.2 11.2 1.0
O A:HOH1109 3.3 15.7 1.0
C A:ARG125 3.4 9.8 1.0
N A:GLU128 3.4 11.3 1.0
N A:TRP126 3.5 10.0 1.0
CA A:ARG125 3.6 10.4 1.0
CB A:ASP127 3.7 12.9 1.0
CG A:GLU128 3.8 20.0 1.0
CA A:ASP127 3.8 11.2 1.0
O A:ARG125 3.9 10.3 1.0
CB A:ARG125 3.9 12.1 1.0
OE2 A:GLU128 4.1 50.1 1.0
C A:ASP127 4.1 10.8 1.0
C A:TRP126 4.1 9.8 1.0
CB A:GLU128 4.2 13.3 1.0
CA A:TRP126 4.4 9.9 1.0
CD A:GLU128 4.4 30.3 1.0
O A:HOH1151 4.4 28.2 1.0
CA A:GLU128 4.4 11.9 1.0
CG A:ASP127 4.7 15.2 1.0
CG A:ARG125 4.7 17.2 1.0
N A:ARG125 5.0 9.9 1.0
O A:HOH1043 5.0 14.8 1.0

Chlorine binding site 2 out of 4 in 1swz

Go back to Chlorine Binding Sites List in 1swz
Chlorine binding site 2 out of 4 in the Use of An Ion-Binding Site to Bypass the 1000-Atom Limit to Ab Initio 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 An Ion-Binding Site to Bypass the 1000-Atom Limit to Ab Initio Structure Determination By Direct Methods within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl612

b:9.8
occ:0.63
O A:HOH1004 3.0 14.6 1.0
N A:ARG145 3.2 8.1 0.5
N A:ARG145 3.2 8.1 0.5
N A:ASN144 3.3 7.9 1.0
C A:THR142 3.4 7.6 1.0
O A:HOH1070 3.4 12.6 0.5
CA A:THR142 3.5 7.7 1.0
CB A:THR142 3.6 8.6 1.0
N A:PRO143 3.7 7.6 1.0
O A:HOH1152 3.7 17.3 1.0
O A:THR142 3.8 8.0 1.0
CB A:ASN144 3.8 9.6 1.0
CB A:ARG145 3.8 9.8 0.5
CA A:ASN144 3.8 8.2 1.0
CB A:ARG145 3.9 9.4 0.5
C A:ASN144 4.0 7.9 1.0
CD A:PRO143 4.1 8.5 1.0
CA A:ARG145 4.2 8.5 0.5
CA A:ARG145 4.2 8.6 0.5
C A:PRO143 4.2 7.4 1.0
CG2 A:THR142 4.3 9.4 1.0
CA A:PRO143 4.5 7.5 1.0
CG A:ASN144 4.8 10.7 1.0
CG A:PRO143 4.8 8.6 1.0
OG1 A:THR142 4.8 9.6 1.0
O A:HOH1095 4.9 14.2 1.0
N A:THR142 4.9 7.7 1.0

Chlorine binding site 3 out of 4 in 1swz

Go back to Chlorine Binding Sites List in 1swz
Chlorine binding site 3 out of 4 in the Use of An Ion-Binding Site to Bypass the 1000-Atom Limit to Ab Initio 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 An Ion-Binding Site to Bypass the 1000-Atom Limit to Ab Initio Structure Determination By Direct Methods within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl613

b:12.9
occ:0.58
O A:HOH1034 2.9 15.7 1.0
NZ A:LYS135 3.2 19.1 1.0
ND2 A:ASN132 3.2 17.3 1.0
O A:HOH1248 3.5 42.7 1.0
CB A:ASN132 3.7 11.0 1.0
CA A:ASN132 3.7 9.5 1.0
CE A:LYS135 3.8 14.3 1.0
CG A:ASN132 3.9 13.5 1.0
CG1 A:VAL131 3.9 13.3 1.0
CD A:LYS135 4.0 13.3 1.0
N A:ASN132 4.0 10.0 1.0
C A:VAL131 4.4 9.8 1.0
O A:HOH1198 4.6 31.3 1.0
O A:VAL131 4.6 10.8 1.0
CE A:MET120 4.7 18.4 1.0
CB A:VAL131 4.8 11.5 1.0
O A:GLU128 4.9 10.9 1.0
O A:HOH1123 5.0 20.3 1.0

Chlorine binding site 4 out of 4 in 1swz

Go back to Chlorine Binding Sites List in 1swz
Chlorine binding site 4 out of 4 in the Use of An Ion-Binding Site to Bypass the 1000-Atom Limit to Ab Initio 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 An Ion-Binding Site to Bypass the 1000-Atom Limit to Ab Initio Structure Determination By Direct Methods within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl614

b:9.1
occ:0.75
O A:HOH1100 3.2 14.1 1.0
O A:HOH1037 3.3 16.0 1.0
O A:HOH1020 3.3 10.8 1.0
O A:HOH1011 3.4 9.9 1.0
CE1 A:HIS31 3.6 9.5 1.0
NE2 A:HIS31 3.9 10.2 1.0
CB A:ALA49 4.1 10.7 1.0
O A:HOH1385 4.5 31.0 1.0
CA A:ALA49 4.6 9.7 1.0
OE1 A:GLN69 4.8 10.9 1.0
ND1 A:HIS31 4.8 8.9 1.0
CD2 A:LEU66 4.8 13.9 1.0
O A:HOH1003 4.8 10.3 1.0
O A:HOH1251 5.0 16.0 0.5

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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