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Rubidium 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:

Chlorine (Cl) 6 atoms

Rubidium Binding Sites:

The binding sites of Rubidium 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 Rubidium atom.
In total 6 binding sites of Rubidium 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 Rubidium binding site number: 1; 2; 3; 4; 5; 6;

Rubidium binding site 1 out of 6 in 1sx2

Go back to Rubidium Binding Sites List in 1sx2
Rubidium 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 Rubidium with other atoms in the Rb 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:Rb601

b:11.7
occ:1.00
 O A:LEU91 2.7 9.1 1.0
O A:HOH928 2.9 10.5 1.0
OE2 A:GLU96 2.9 9.6 1.0
O A:HOH675 2.9 12.8 1.0
O A:HOH622 2.9 10.5 1.0
O A:HOH1099 3.0 9.3 1.0
O A:ASP89 3.0 9.1 1.0
C A:ASP89 3.8 8.4 1.0
C A:LEU91 3.9 8.0 1.0
CD A:GLU96 3.9 8.6 1.0
O A:TYR88 4.0 8.5 1.0
CA A:ASP89 4.2 8.2 1.0
OE1 A:GLU96 4.3 10.4 1.0
N A:LEU91 4.4 8.3 1.0
O A:HOH712 4.5 11.1 1.0
O A:HOH936 4.5 11.0 1.0
O A:HOH627 4.7 12.1 1.0
N A:ASP92 4.7 8.0 1.0
C A:SER90 4.8 8.0 1.0
CA A:LEU91 4.8 8.2 1.0
N A:SER90 4.8 8.0 1.0
CA A:ASP92 4.8 8.1 1.0
CG A:GLU96 4.9 8.4 1.0
C A:TYR88 4.9 7.8 1.0

Rubidium binding site 2 out of 6 in 1sx2

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Rubidium 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 Rubidium with other atoms in the Rb 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:Rb602

b:14.9
occ:0.60
 O A:HOH1239 2.7 34.8 1.0
OH A:TYR18 2.8 16.3 1.0
O A:HOH630 2.9 15.0 1.0
O A:GLU11 2.9 11.6 1.0
OE1 A:GLU11 3.0 15.2 1.0
O A:HOH891 3.1 58.5 1.0
O A:HOH1264 3.2 18.8 0.5
O A:HOH1241 3.5 20.4 0.5
O A:HOH1183 3.6 12.3 0.5
C A:GLU11 3.8 10.6 1.0
CA A:GLU11 3.9 10.1 1.0
CZ A:TYR18 3.9 12.4 1.0
O A:HOH644 3.9 6.8 0.5
CE1 A:TYR18 4.1 15.6 1.0
O A:HOH644 4.2 21.5 0.5
CD A:GLU11 4.2 13.0 1.0
O A:HOH1104 4.2 25.4 0.5
CB A:GLU11 4.3 10.7 1.0
O A:HOH1264 4.4 25.2 0.5
CA A:GLY30 4.8 9.1 1.0
O A:ASP10 4.8 11.8 1.0
CB A:ASP20 4.9 12.1 1.0
CG A:GLU11 4.9 11.8 1.0
O A:HOH877 4.9 30.3 1.0
N A:GLY30 5.0 9.4 1.0

Rubidium binding site 3 out of 6 in 1sx2

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Rubidium 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 Rubidium with other atoms in the Rb 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:Rb603

b:15.3
occ:0.35
 RB A:RB603 0.0 15.3 0.3
RB A:RB603 2.4 34.2 0.7
O A:HOH1247 2.5 23.6 1.0
O A:HOH909 2.6 30.2 1.0
O A:GLY30 2.8 10.4 1.0
O A:PHE104 2.8 10.6 1.0
O A:HOH707 3.2 28.4 1.0
CE2 A:PHE104 3.3 13.4 1.0
CD2 A:PHE104 3.4 10.8 1.0
CZ A:PHE104 3.8 15.5 1.0
C A:PHE104 3.9 8.8 1.0
CG A:PHE104 4.0 8.8 1.0
C A:GLY30 4.0 8.5 1.0
O A:HOH850 4.2 21.5 1.0
O A:HOH1108 4.3 23.8 1.0
CE1 A:PHE104 4.3 13.8 1.0
CD1 A:PHE104 4.3 9.9 1.0
O A:HOH663 4.4 15.2 1.0
N A:LEU32 4.4 8.9 1.0
CA A:PHE104 4.5 8.8 1.0
CA A:HIS31 4.8 8.3 1.0
CB A:PHE104 4.8 9.1 1.0
O A:HOH1248 4.8 22.6 0.5
CB A:LEU32 4.8 10.7 1.0
N A:GLN105 4.9 9.0 1.0
N A:HIS31 4.9 8.2 1.0
CA A:GLY30 4.9 9.1 1.0
O A:HOH1030 4.9 38.6 1.0
OD2 A:ASP70 5.0 9.8 1.0

Rubidium binding site 4 out of 6 in 1sx2

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Rubidium 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 Rubidium with other atoms in the Rb 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:Rb603

b:34.2
occ:0.65
 RB A:RB603 0.0 34.2 0.7
RB A:RB603 2.4 15.3 0.3
O A:HOH663 2.7 15.2 1.0
O A:HOH909 2.7 30.2 1.0
O A:GLY30 2.9 10.4 1.0
O A:HOH1108 2.9 23.8 1.0
O A:HOH833 3.1 12.4 1.0
O A:PHE104 3.7 10.6 1.0
O A:HOH1247 3.8 23.6 1.0
C A:GLY30 3.9 8.5 1.0
O A:HOH630 4.0 15.0 1.0
CB A:LEU32 4.1 10.7 1.0
N A:LEU32 4.2 8.9 1.0
CE2 A:PHE104 4.4 13.4 1.0
CA A:GLY30 4.4 9.1 1.0
O A:HOH1182 4.5 28.8 1.0
O A:GLN105 4.5 11.6 1.0
CD2 A:PHE104 4.5 10.8 1.0
CA A:LEU32 4.7 9.6 1.0
OE2 A:GLU11 4.7 14.8 1.0
CA A:GLN105 4.7 9.1 1.0
C A:PHE104 4.7 8.8 1.0
O A:HOH862 4.8 19.7 1.0
N A:HIS31 4.9 8.2 1.0
OE1 A:GLU11 5.0 15.2 1.0
C A:HIS31 5.0 8.1 1.0
CD A:GLU11 5.0 13.0 1.0

Rubidium binding site 5 out of 6 in 1sx2

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Rubidium 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 Rubidium with other atoms in the Rb 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:Rb604

b:13.0
occ:0.20
 OG1 A:THR115 2.8 15.3 1.0
O A:HOH971 2.9 28.1 1.0
O A:GLY113 3.2 23.4 1.0
O A:HOH868 3.6 23.0 1.0
CB A:THR115 3.8 14.1 1.0
C A:GLY113 3.9 19.3 1.0
CA A:GLY113 4.0 24.0 1.0
N A:THR115 4.5 13.1 1.0
O A:HOH1691 4.5 28.1 0.5
CA A:THR115 4.8 12.4 1.0
O A:HOH938 4.8 23.8 1.0
CG2 A:THR115 4.9 15.5 1.0

Rubidium binding site 6 out of 6 in 1sx2

Go back to Rubidium Binding Sites List in 1sx2
Rubidium 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 Rubidium with other atoms in the Rb 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:Rb605

b:23.7
occ:0.29
 O A:PRO37 2.5 27.2 1.0
O A:HOH651 2.7 27.9 1.0
OH A:TYR25 2.7 24.6 1.0
O A:HOH925 2.8 27.9 1.0
O A:HOH677 3.4 33.5 1.0
C A:PRO37 3.7 22.2 1.0
CZ A:TYR25 3.8 19.1 1.0
O A:HOH1543 3.9 47.7 1.0
CE2 A:TYR25 4.2 19.4 1.0
O A:HOH802 4.2 30.7 1.0
CA A:PRO37 4.4 23.8 1.0
CB A:PRO37 4.5 27.4 1.0
NZ A:LYS19 4.5 17.0 1.0
N A:SER38 4.7 24.3 1.0
CE A:LYS19 4.7 17.2 1.0
N A:LEU39 4.7 21.4 1.0
O A:HOH1687 4.8 23.4 0.5
O A:HOH650 4.9 21.6 1.0
CE1 A:TYR25 5.0 17.7 1.0
CA A:SER38 5.0 24.4 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: Thu Oct 10 11:56:35 2024

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