Chlorine in PDB 8spg: Crystal Structure of N-Terminally Truncated Escherichia Coli Rapa in Complex with Mgadp

Protein crystallography data

The structure of Crystal Structure of N-Terminally Truncated Escherichia Coli Rapa in Complex with Mgadp, PDB code: 8spg was solved by G.X.Shaw, X.Ji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.35 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.567, 82.099, 188.546, 90, 90, 90
R / Rfree (%) 19.8 / 23.6

Other elements in 8spg:

The structure of Crystal Structure of N-Terminally Truncated Escherichia Coli Rapa in Complex with Mgadp also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of N-Terminally Truncated Escherichia Coli Rapa in Complex with Mgadp (pdb code 8spg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of N-Terminally Truncated Escherichia Coli Rapa in Complex with Mgadp, PDB code: 8spg:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 8spg

Go back to Chlorine Binding Sites List in 8spg
Chlorine binding site 1 out of 4 in the Crystal Structure of N-Terminally Truncated Escherichia Coli Rapa in Complex with Mgadp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of N-Terminally Truncated Escherichia Coli Rapa in Complex with Mgadp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1003

b:56.1
occ:1.00
 N A:PHE572 3.0 31.1 1.0
O A:HOH1204 3.2 30.4 1.0
O A:PHE572 3.3 35.0 1.0
O A:ARG596 3.3 26.0 1.0
C A:PHE572 3.5 34.5 1.0
NH1 A:ARG599 3.7 27.1 1.0
CA A:PHE572 3.7 31.5 1.0
C A:ASN571 3.9 31.5 1.0
CA A:ASN571 3.9 29.5 1.0
CD2 A:LEU597 4.0 28.6 1.0
OD1 A:ASN571 4.0 41.0 1.0
CB A:PHE572 4.1 32.2 1.0
N A:GLN573 4.3 38.0 1.0
CA A:LEU597 4.4 24.8 1.0
O A:ARG570 4.5 26.8 1.0
CB A:ASN571 4.5 33.5 1.0
CZ A:ARG599 4.5 28.5 1.0
C A:ARG596 4.5 24.8 1.0
CD A:ARG599 4.5 28.9 1.0
CG A:ARG599 4.6 27.4 1.0
CG A:ASN571 4.7 42.2 1.0
CA A:GLN573 4.8 49.2 1.0
NE A:ARG599 4.8 25.9 1.0
CG A:PHE572 4.9 27.9 1.0
O A:LEU597 4.9 29.7 1.0
CD2 A:PHE572 5.0 27.2 1.0
N A:LEU597 5.0 23.0 1.0

Chlorine binding site 2 out of 4 in 8spg

Go back to Chlorine Binding Sites List in 8spg
Chlorine binding site 2 out of 4 in the Crystal Structure of N-Terminally Truncated Escherichia Coli Rapa in Complex with Mgadp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of N-Terminally Truncated Escherichia Coli Rapa in Complex with Mgadp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1004

b:60.5
occ:1.00
 O A:HOH1419 2.8 38.3 1.0
O A:HOH1359 2.9 39.6 1.0
O A:HOH1472 3.5 54.8 1.0
O A:SER145 3.5 37.5 1.0
CG A:ARG167 3.9 44.5 1.0
CB A:GLN193 3.9 28.1 1.0
OE1 A:GLN193 4.0 30.8 1.0
O A:GLN193 4.2 28.3 1.0
CG A:GLN193 4.3 30.3 1.0
CB A:SER197 4.3 34.5 1.0
CA A:GLN193 4.5 28.4 1.0
C A:GLN193 4.6 29.4 1.0
CD A:GLN193 4.6 32.7 1.0
C A:SER145 4.6 39.3 1.0
O A:HOH1170 4.6 46.1 1.0
CD A:ARG167 4.7 46.1 1.0
OG A:SER197 4.7 36.4 1.0
O A:HOH1439 4.8 45.0 1.0
O A:GLY166 4.9 29.8 1.0
CB A:ARG167 5.0 30.9 1.0
CA A:ARG167 5.0 32.2 1.0

Chlorine binding site 3 out of 4 in 8spg

Go back to Chlorine Binding Sites List in 8spg
Chlorine binding site 3 out of 4 in the Crystal Structure of N-Terminally Truncated Escherichia Coli Rapa in Complex with Mgadp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of N-Terminally Truncated Escherichia Coli Rapa in Complex with Mgadp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1005

b:66.3
occ:1.00
 O A:HOH1540 2.6 43.0 1.0
O A:HOH1553 2.8 46.5 1.0
O A:PRO439 3.2 34.5 1.0
CG A:PRO441 3.7 34.8 1.0
CG A:PRO489 3.7 31.5 1.0
CA A:PRO441 3.8 36.7 1.0
CB A:PRO441 3.8 35.6 1.0
N A:PRO441 3.8 35.4 1.0
C A:PRO439 3.8 36.9 1.0
CD A:PRO489 4.0 33.3 1.0
CB A:PRO439 4.0 36.0 1.0
CB A:PRO489 4.0 31.8 1.0
CD A:PRO441 4.1 34.6 1.0
C A:LEU440 4.2 35.5 1.0
O A:HOH1312 4.4 44.0 1.0
O A:PHE487 4.4 31.9 1.0
CA A:PRO439 4.5 35.5 1.0
CG A:PRO439 4.5 41.9 1.0
N A:LEU440 4.6 33.0 1.0
CD A:PRO439 4.6 34.7 1.0
O A:LEU440 4.6 36.5 1.0
N A:PRO489 4.8 28.8 1.0
CA A:LEU440 4.8 31.9 1.0
N A:PRO439 4.9 32.0 1.0
CA A:PRO489 5.0 28.6 1.0

Chlorine binding site 4 out of 4 in 8spg

Go back to Chlorine Binding Sites List in 8spg
Chlorine binding site 4 out of 4 in the Crystal Structure of N-Terminally Truncated Escherichia Coli Rapa in Complex with Mgadp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of N-Terminally Truncated Escherichia Coli Rapa in Complex with Mgadp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1006

b:62.9
occ:1.00
 O A:HOH1535 2.6 47.5 1.0
O A:LEU195 2.8 38.1 1.0
O A:ALA200 3.0 35.7 1.0
CG A:GLU201 3.6 46.7 1.0
C A:LEU195 3.8 35.1 1.0
CA A:GLY198 4.0 43.3 1.0
CA A:LEU195 4.0 32.1 1.0
C A:ALA200 4.1 36.3 1.0
CA A:GLU201 4.2 35.4 1.0
CE A:LYS828 4.2 61.6 1.0
CD2 A:LEU195 4.4 31.3 1.0
CD A:LYS828 4.4 71.0 1.0
CB A:GLU201 4.4 42.5 1.0
N A:GLY198 4.4 40.5 1.0
CB A:LEU195 4.5 33.6 1.0
O A:HOH1155 4.6 37.9 1.0
N A:GLU201 4.6 32.6 1.0
C A:GLY198 4.7 37.6 1.0
CD A:GLU201 4.8 65.6 1.0
O A:GLY198 4.9 40.8 1.0
O A:GLN194 5.0 34.8 1.0
N A:LEU196 5.0 34.7 1.0

Reference:

G.X.Shaw, X.Ji. Crystal Structure of N-Terminally Truncated Escherichia Coli Rapa in Complex with Mgadp To Be Published.
Page generated: Tue Jul 30 12:33:50 2024

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