Chlorine in PDB 2rcd: Crystal Structure of A Protein with Unknown Function From DUF3225 Family (ECA3500) From Pectobacterium Atrosepticum SCRI1043 at 2.32 A Resolution
Protein crystallography data
The structure of Crystal Structure of A Protein with Unknown Function From DUF3225 Family (ECA3500) From Pectobacterium Atrosepticum SCRI1043 at 2.32 A Resolution, PDB code: 2rcd
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)
|
29.46 /
2.32
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
93.375,
93.524,
72.919,
90.00,
105.32,
90.00
|
R / Rfree (%)
|
18.7 /
24.2
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of A Protein with Unknown Function From DUF3225 Family (ECA3500) From Pectobacterium Atrosepticum SCRI1043 at 2.32 A Resolution
(pdb code 2rcd). 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 A Protein with Unknown Function From DUF3225 Family (ECA3500) From Pectobacterium Atrosepticum SCRI1043 at 2.32 A Resolution, PDB code: 2rcd:
Jump to Chlorine binding site number:
1;
2;
3;
4;
Chlorine binding site 1 out
of 4 in 2rcd
Go back to
Chlorine Binding Sites List in 2rcd
Chlorine binding site 1 out
of 4 in the Crystal Structure of A Protein with Unknown Function From DUF3225 Family (ECA3500) From Pectobacterium Atrosepticum SCRI1043 at 2.32 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 Protein with Unknown Function From DUF3225 Family (ECA3500) From Pectobacterium Atrosepticum SCRI1043 at 2.32 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl129
b:50.3
occ:1.00
|
O
|
A:HOH147
|
2.8
|
51.2
|
1.0
|
N
|
A:GLU57
|
3.3
|
50.0
|
1.0
|
N
|
A:ILE56
|
3.4
|
49.9
|
1.0
|
CB
|
A:GLU57
|
3.5
|
52.8
|
1.0
|
CA
|
A:GLY55
|
3.6
|
46.9
|
1.0
|
C
|
A:GLY55
|
3.8
|
49.5
|
1.0
|
CA
|
A:GLU42
|
3.8
|
47.8
|
1.0
|
CG2
|
A:ILE56
|
3.9
|
40.9
|
1.0
|
CA
|
A:GLU57
|
4.0
|
54.0
|
1.0
|
CB
|
A:GLU42
|
4.2
|
52.1
|
1.0
|
O
|
A:ASP41
|
4.3
|
43.6
|
1.0
|
C
|
A:ILE56
|
4.3
|
50.3
|
1.0
|
CA
|
A:ILE56
|
4.3
|
49.0
|
1.0
|
N
|
A:GLU42
|
4.3
|
45.9
|
1.0
|
C
|
A:ASP41
|
4.5
|
44.4
|
1.0
|
O
|
A:HOH144
|
4.6
|
55.6
|
1.0
|
O
|
A:GLY55
|
4.6
|
52.2
|
1.0
|
CB
|
A:ILE56
|
4.6
|
48.2
|
1.0
|
CG
|
A:GLU57
|
4.8
|
60.0
|
1.0
|
OE1
|
A:GLU57
|
4.8
|
71.1
|
1.0
|
O
|
A:TYR54
|
4.9
|
51.9
|
1.0
|
C
|
A:GLU42
|
4.9
|
48.0
|
1.0
|
N
|
A:GLY55
|
4.9
|
48.0
|
1.0
|
O
|
A:GLU42
|
5.0
|
49.9
|
1.0
|
|
Chlorine binding site 2 out
of 4 in 2rcd
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Chlorine Binding Sites List in 2rcd
Chlorine binding site 2 out
of 4 in the Crystal Structure of A Protein with Unknown Function From DUF3225 Family (ECA3500) From Pectobacterium Atrosepticum SCRI1043 at 2.32 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 Protein with Unknown Function From DUF3225 Family (ECA3500) From Pectobacterium Atrosepticum SCRI1043 at 2.32 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl129
b:55.7
occ:1.00
|
O
|
B:HOH145
|
2.7
|
60.5
|
1.0
|
N
|
B:GLU57
|
3.3
|
51.2
|
1.0
|
N
|
B:ILE56
|
3.4
|
48.3
|
1.0
|
CB
|
B:GLU57
|
3.6
|
51.5
|
1.0
|
CA
|
B:GLY55
|
3.7
|
48.0
|
1.0
|
C
|
B:GLY55
|
3.8
|
48.1
|
1.0
|
CA
|
B:GLU42
|
3.8
|
47.1
|
1.0
|
CG2
|
B:ILE56
|
3.9
|
37.9
|
1.0
|
CA
|
B:GLU57
|
4.1
|
53.3
|
1.0
|
CB
|
B:GLU42
|
4.2
|
50.0
|
1.0
|
CA
|
B:ILE56
|
4.3
|
48.9
|
1.0
|
C
|
B:ILE56
|
4.3
|
49.6
|
1.0
|
N
|
B:GLU42
|
4.3
|
46.1
|
1.0
|
O
|
B:ASP41
|
4.3
|
44.9
|
1.0
|
OE1
|
B:GLU57
|
4.4
|
59.0
|
1.0
|
C
|
B:ASP41
|
4.6
|
44.3
|
1.0
|
CB
|
B:ILE56
|
4.7
|
49.5
|
1.0
|
O
|
B:GLY55
|
4.7
|
48.7
|
1.0
|
CG
|
B:GLU57
|
4.8
|
60.5
|
1.0
|
C
|
B:GLU42
|
4.9
|
47.1
|
1.0
|
O
|
B:TYR54
|
4.9
|
48.8
|
1.0
|
|
Chlorine binding site 3 out
of 4 in 2rcd
Go back to
Chlorine Binding Sites List in 2rcd
Chlorine binding site 3 out
of 4 in the Crystal Structure of A Protein with Unknown Function From DUF3225 Family (ECA3500) From Pectobacterium Atrosepticum SCRI1043 at 2.32 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 Protein with Unknown Function From DUF3225 Family (ECA3500) From Pectobacterium Atrosepticum SCRI1043 at 2.32 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl129
b:51.4
occ:1.00
|
N
|
C:GLU57
|
3.4
|
49.6
|
1.0
|
N
|
C:ILE56
|
3.4
|
47.5
|
1.0
|
CA
|
C:GLY55
|
3.6
|
48.3
|
1.0
|
CB
|
C:GLU57
|
3.6
|
51.9
|
1.0
|
CA
|
C:GLU42
|
3.7
|
47.7
|
1.0
|
C
|
C:GLY55
|
3.7
|
49.2
|
1.0
|
CG2
|
C:ILE56
|
3.9
|
41.4
|
1.0
|
CA
|
C:GLU57
|
4.1
|
54.3
|
1.0
|
N
|
C:GLU42
|
4.2
|
46.2
|
1.0
|
CA
|
C:ILE56
|
4.3
|
48.6
|
1.0
|
CB
|
C:GLU42
|
4.3
|
49.3
|
1.0
|
C
|
C:ILE56
|
4.3
|
50.1
|
1.0
|
O
|
C:ASP41
|
4.3
|
43.9
|
1.0
|
C
|
C:ASP41
|
4.5
|
44.1
|
1.0
|
OE1
|
C:GLU57
|
4.5
|
78.5
|
1.0
|
CB
|
C:ILE56
|
4.7
|
46.8
|
1.0
|
O
|
C:GLY55
|
4.7
|
51.8
|
1.0
|
C
|
C:GLU42
|
4.8
|
48.5
|
1.0
|
O
|
C:GLU42
|
4.9
|
49.4
|
1.0
|
N
|
C:GLY55
|
4.9
|
47.2
|
1.0
|
CG
|
C:GLU57
|
4.9
|
63.1
|
1.0
|
O
|
C:TYR54
|
4.9
|
47.7
|
1.0
|
|
Chlorine binding site 4 out
of 4 in 2rcd
Go back to
Chlorine Binding Sites List in 2rcd
Chlorine binding site 4 out
of 4 in the Crystal Structure of A Protein with Unknown Function From DUF3225 Family (ECA3500) From Pectobacterium Atrosepticum SCRI1043 at 2.32 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 Protein with Unknown Function From DUF3225 Family (ECA3500) From Pectobacterium Atrosepticum SCRI1043 at 2.32 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl129
b:55.0
occ:1.00
|
N
|
D:GLU57
|
3.3
|
50.4
|
1.0
|
N
|
D:ILE56
|
3.4
|
48.3
|
1.0
|
CA
|
D:GLY55
|
3.6
|
48.3
|
1.0
|
CB
|
D:GLU57
|
3.6
|
52.7
|
1.0
|
CA
|
D:GLU42
|
3.7
|
47.8
|
1.0
|
C
|
D:GLY55
|
3.8
|
47.6
|
1.0
|
CG2
|
D:ILE56
|
3.9
|
43.2
|
1.0
|
CA
|
D:GLU57
|
4.1
|
52.6
|
1.0
|
CB
|
D:GLU42
|
4.2
|
50.9
|
1.0
|
N
|
D:GLU42
|
4.2
|
46.8
|
1.0
|
C
|
D:ILE56
|
4.3
|
50.1
|
1.0
|
CA
|
D:ILE56
|
4.3
|
48.2
|
1.0
|
O
|
D:ASP41
|
4.4
|
46.0
|
1.0
|
C
|
D:ASP41
|
4.6
|
46.4
|
1.0
|
CB
|
D:ILE56
|
4.6
|
47.5
|
1.0
|
O
|
D:GLY55
|
4.7
|
48.3
|
1.0
|
C
|
D:GLU42
|
4.8
|
47.6
|
1.0
|
O
|
D:GLU42
|
4.8
|
48.1
|
1.0
|
N
|
D:GLU58
|
4.9
|
53.6
|
1.0
|
N
|
D:GLY55
|
5.0
|
48.8
|
1.0
|
O
|
D:TYR54
|
5.0
|
48.3
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Sat Jul 20 11:16:31 2024
|