Chlorine in PDB 2qw5: Crystal Structure of A Putative Sugar Phosphate Isomerase/Epimerase (AVA4194) From Anabaena Variabilis Atcc 29413 at 1.78 A Resolution
Protein crystallography data
The structure of Crystal Structure of A Putative Sugar Phosphate Isomerase/Epimerase (AVA4194) From Anabaena Variabilis Atcc 29413 at 1.78 A Resolution, PDB code: 2qw5
was solved by
Joint Center For Structural Genomics (Jcsg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
42.11 /
1.78
|
Space group
|
P 41 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
84.238,
84.238,
208.172,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.7 /
22.4
|
Other elements in 2qw5:
The structure of Crystal Structure of A Putative Sugar Phosphate Isomerase/Epimerase (AVA4194) From Anabaena Variabilis Atcc 29413 at 1.78 A Resolution also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of A Putative Sugar Phosphate Isomerase/Epimerase (AVA4194) From Anabaena Variabilis Atcc 29413 at 1.78 A Resolution
(pdb code 2qw5). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the
Crystal Structure of A Putative Sugar Phosphate Isomerase/Epimerase (AVA4194) From Anabaena Variabilis Atcc 29413 at 1.78 A Resolution, PDB code: 2qw5:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
Chlorine binding site 1 out
of 5 in 2qw5
Go back to
Chlorine Binding Sites List in 2qw5
Chlorine binding site 1 out
of 5 in the Crystal Structure of A Putative Sugar Phosphate Isomerase/Epimerase (AVA4194) From Anabaena Variabilis Atcc 29413 at 1.78 A Resolution
 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 A Putative Sugar Phosphate Isomerase/Epimerase (AVA4194) From Anabaena Variabilis Atcc 29413 at 1.78 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl402
b:29.7
occ:1.00
|
O
|
A:HOH510
|
3.0
|
26.6
|
1.0
|
N
|
A:ALA287
|
3.2
|
18.8
|
1.0
|
O
|
A:HOH577
|
3.3
|
32.6
|
1.0
|
CB
|
A:ALA287
|
3.5
|
15.6
|
1.0
|
CD
|
A:PRO286
|
3.8
|
24.3
|
1.0
|
CD1
|
A:ILE285
|
3.8
|
19.7
|
1.0
|
CB
|
A:PRO286
|
3.9
|
21.4
|
1.0
|
N
|
A:PRO286
|
3.9
|
20.6
|
1.0
|
CA
|
A:ALA287
|
3.9
|
18.4
|
1.0
|
CB
|
A:ILE285
|
4.1
|
17.9
|
1.0
|
CG1
|
A:ILE285
|
4.1
|
17.8
|
1.0
|
C
|
A:PRO286
|
4.1
|
22.3
|
1.0
|
CA
|
A:PRO286
|
4.2
|
22.5
|
1.0
|
CG
|
A:PRO286
|
4.3
|
23.8
|
1.0
|
C
|
A:ILE285
|
4.4
|
17.1
|
1.0
|
O
|
A:HOH519
|
4.8
|
34.0
|
1.0
|
CA
|
A:ILE285
|
4.9
|
19.0
|
1.0
|
|
Chlorine binding site 2 out
of 5 in 2qw5
Go back to
Chlorine Binding Sites List in 2qw5
Chlorine binding site 2 out
of 5 in the Crystal Structure of A Putative Sugar Phosphate Isomerase/Epimerase (AVA4194) From Anabaena Variabilis Atcc 29413 at 1.78 A Resolution
 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 A Putative Sugar Phosphate Isomerase/Epimerase (AVA4194) From Anabaena Variabilis Atcc 29413 at 1.78 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl403
b:20.8
occ:1.00
|
N
|
A:GLU101
|
3.3
|
20.7
|
1.0
|
CD
|
A:PRO100
|
3.6
|
17.9
|
1.0
|
N
|
A:PRO100
|
3.6
|
20.2
|
1.0
|
CB
|
A:GLU101
|
3.7
|
21.1
|
0.5
|
CB
|
A:GLU101
|
3.8
|
20.8
|
0.5
|
CB
|
A:TYR99
|
3.8
|
18.3
|
1.0
|
CG
|
A:GLU101
|
3.8
|
23.6
|
0.5
|
C
|
A:TYR99
|
3.9
|
21.3
|
1.0
|
CA
|
A:GLU101
|
4.0
|
20.0
|
0.5
|
CA
|
A:GLU101
|
4.1
|
20.3
|
0.5
|
CA
|
A:TYR99
|
4.1
|
19.2
|
1.0
|
CB
|
A:PRO100
|
4.2
|
23.1
|
1.0
|
C
|
A:PRO100
|
4.2
|
19.3
|
1.0
|
CA
|
A:PRO100
|
4.2
|
19.9
|
1.0
|
CG
|
A:PRO100
|
4.4
|
24.7
|
1.0
|
O
|
A:TYR99
|
4.6
|
20.3
|
1.0
|
CD
|
A:GLU101
|
4.7
|
24.9
|
0.5
|
N
|
A:GLN102
|
4.8
|
18.9
|
1.0
|
CG
|
A:TYR99
|
4.9
|
21.0
|
1.0
|
C
|
A:GLU101
|
5.0
|
19.3
|
1.0
|
|
Chlorine binding site 3 out
of 5 in 2qw5
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Chlorine Binding Sites List in 2qw5
Chlorine binding site 3 out
of 5 in the Crystal Structure of A Putative Sugar Phosphate Isomerase/Epimerase (AVA4194) From Anabaena Variabilis Atcc 29413 at 1.78 A Resolution
 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 A Putative Sugar Phosphate Isomerase/Epimerase (AVA4194) From Anabaena Variabilis Atcc 29413 at 1.78 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl404
b:34.3
occ:1.00
|
O
|
A:HOH446
|
3.2
|
23.4
|
1.0
|
NE2
|
A:GLN104
|
3.3
|
22.9
|
1.0
|
NE
|
A:ARG103
|
3.4
|
18.1
|
1.0
|
NH2
|
A:ARG103
|
3.5
|
25.6
|
1.0
|
O
|
A:PRO100
|
3.9
|
18.7
|
1.0
|
CZ
|
A:ARG103
|
3.9
|
17.5
|
1.0
|
CD1
|
A:ILE164
|
4.0
|
20.3
|
1.0
|
CA
|
A:PRO100
|
4.0
|
19.9
|
1.0
|
CB
|
A:ARG103
|
4.2
|
20.5
|
1.0
|
CB
|
A:PRO100
|
4.2
|
23.1
|
1.0
|
CG
|
A:GLN104
|
4.2
|
24.8
|
1.0
|
CD
|
A:GLN104
|
4.3
|
27.1
|
1.0
|
C
|
A:PRO100
|
4.4
|
19.3
|
1.0
|
CD
|
A:ARG103
|
4.5
|
18.6
|
1.0
|
O
|
A:HOH737
|
4.7
|
38.0
|
1.0
|
O
|
A:HOH454
|
4.7
|
27.8
|
1.0
|
CG
|
A:ARG103
|
4.9
|
21.0
|
1.0
|
CG1
|
A:ILE164
|
4.9
|
22.8
|
1.0
|
CG
|
A:PRO100
|
5.0
|
24.7
|
1.0
|
|
Chlorine binding site 4 out
of 5 in 2qw5
Go back to
Chlorine Binding Sites List in 2qw5
Chlorine binding site 4 out
of 5 in the Crystal Structure of A Putative Sugar Phosphate Isomerase/Epimerase (AVA4194) From Anabaena Variabilis Atcc 29413 at 1.78 A Resolution
 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 A Putative Sugar Phosphate Isomerase/Epimerase (AVA4194) From Anabaena Variabilis Atcc 29413 at 1.78 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl402
b:28.7
occ:1.00
|
O
|
B:HOH445
|
3.0
|
22.1
|
1.0
|
O
|
B:HOH588
|
3.2
|
35.2
|
1.0
|
N
|
B:ALA287
|
3.2
|
19.2
|
1.0
|
CB
|
B:ALA287
|
3.6
|
17.2
|
1.0
|
CD
|
B:PRO286
|
3.7
|
21.8
|
1.0
|
CD1
|
B:ILE285
|
3.8
|
18.1
|
1.0
|
N
|
B:PRO286
|
3.8
|
19.3
|
1.0
|
CB
|
B:ILE285
|
3.9
|
23.0
|
1.0
|
CG1
|
B:ILE285
|
3.9
|
27.1
|
1.0
|
CA
|
B:ALA287
|
4.0
|
19.2
|
1.0
|
CB
|
B:PRO286
|
4.1
|
19.9
|
1.0
|
C
|
B:PRO286
|
4.1
|
20.7
|
1.0
|
CA
|
B:PRO286
|
4.2
|
19.3
|
1.0
|
CG
|
B:PRO286
|
4.2
|
20.5
|
1.0
|
C
|
B:ILE285
|
4.4
|
19.4
|
1.0
|
CA
|
B:ILE285
|
4.7
|
20.1
|
1.0
|
O
|
B:HOH569
|
4.8
|
35.0
|
1.0
|
O
|
B:HOH621
|
4.8
|
41.3
|
1.0
|
CG2
|
B:ILE285
|
5.0
|
18.5
|
1.0
|
|
Chlorine binding site 5 out
of 5 in 2qw5
Go back to
Chlorine Binding Sites List in 2qw5
Chlorine binding site 5 out
of 5 in the Crystal Structure of A Putative Sugar Phosphate Isomerase/Epimerase (AVA4194) From Anabaena Variabilis Atcc 29413 at 1.78 A Resolution
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of A Putative Sugar Phosphate Isomerase/Epimerase (AVA4194) From Anabaena Variabilis Atcc 29413 at 1.78 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl403
b:44.4
occ:1.00
|
O
|
B:HOH750
|
2.9
|
29.3
|
1.0
|
OE1
|
B:GLN104
|
3.1
|
14.4
|
0.5
|
NE
|
B:ARG103
|
3.4
|
20.6
|
1.0
|
NH2
|
B:ARG103
|
3.4
|
24.3
|
1.0
|
O
|
B:HOH725
|
3.8
|
41.7
|
1.0
|
CZ
|
B:ARG103
|
3.8
|
19.1
|
1.0
|
O
|
B:PRO100
|
3.9
|
19.2
|
1.0
|
CA
|
B:PRO100
|
3.9
|
21.1
|
1.0
|
CD
|
B:GLN104
|
4.0
|
22.4
|
0.5
|
CD1
|
B:ILE164
|
4.0
|
23.1
|
1.0
|
CB
|
B:PRO100
|
4.0
|
21.6
|
1.0
|
CG
|
B:GLN104
|
4.1
|
21.6
|
0.5
|
CB
|
B:ARG103
|
4.1
|
19.1
|
1.0
|
C
|
B:PRO100
|
4.4
|
19.0
|
1.0
|
O
|
B:HOH574
|
4.4
|
39.6
|
1.0
|
CD
|
B:ARG103
|
4.5
|
18.1
|
1.0
|
O
|
B:HOH730
|
4.6
|
34.1
|
1.0
|
O
|
B:HOH496
|
4.7
|
26.7
|
1.0
|
CG
|
B:ARG103
|
4.8
|
14.5
|
1.0
|
CG
|
B:PRO100
|
4.9
|
22.1
|
1.0
|
N
|
B:GLN104
|
5.0
|
18.7
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Sat Jul 20 10:59:41 2024
|