Calcium in PDB 4ecg: Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution
Protein crystallography data
The structure of Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution, PDB code: 4ecg
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)
|
29.12 /
2.30
|
Space group
|
I 41
|
Cell size a, b, c (Å), α, β, γ (°)
|
113.892,
113.892,
75.219,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
16.2 /
19.3
|
Other elements in 4ecg:
The structure of Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution
(pdb code 4ecg). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 9 binding sites of Calcium where determined in the
Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution, PDB code: 4ecg:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Calcium binding site 1 out
of 9 in 4ecg
Go back to
Calcium Binding Sites List in 4ecg
Calcium binding site 1 out
of 9 in the Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca501
b:55.1
occ:1.00
|
OE1
|
A:GLN249
|
2.2
|
53.7
|
1.0
|
O
|
A:HOH686
|
2.3
|
50.9
|
1.0
|
O
|
A:SER243
|
2.3
|
57.1
|
1.0
|
O
|
A:HOH678
|
2.3
|
46.7
|
1.0
|
O
|
A:HOH676
|
2.4
|
57.0
|
1.0
|
O
|
A:HOH679
|
2.6
|
50.4
|
1.0
|
O
|
A:HOH688
|
2.7
|
47.7
|
1.0
|
CD
|
A:GLN249
|
3.2
|
53.1
|
1.0
|
C
|
A:SER243
|
3.6
|
61.3
|
1.0
|
NE2
|
A:GLN249
|
4.0
|
50.0
|
1.0
|
CB
|
A:SER243
|
4.1
|
66.9
|
1.0
|
CG
|
A:GLN249
|
4.2
|
54.9
|
1.0
|
O
|
A:HOH652
|
4.2
|
47.2
|
1.0
|
CA
|
A:SER243
|
4.4
|
65.2
|
1.0
|
CB
|
A:GLN249
|
4.4
|
54.5
|
1.0
|
N
|
A:GLY245
|
4.5
|
60.1
|
1.0
|
N
|
A:ILE244
|
4.5
|
62.3
|
1.0
|
CA
|
A:ILE244
|
4.6
|
60.0
|
1.0
|
O
|
A:HOH681
|
4.8
|
46.1
|
1.0
|
O
|
A:HOH677
|
4.9
|
54.1
|
1.0
|
O
|
A:HOH687
|
4.9
|
51.0
|
1.0
|
|
Calcium binding site 2 out
of 9 in 4ecg
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Calcium Binding Sites List in 4ecg
Calcium binding site 2 out
of 9 in the Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca502
b:65.6
occ:1.00
|
O
|
A:HOH624
|
2.2
|
43.4
|
1.0
|
O
|
A:HOH689
|
2.3
|
48.5
|
1.0
|
OE1
|
A:GLU187
|
2.3
|
68.5
|
1.0
|
OD1
|
A:ASP185
|
2.3
|
59.3
|
1.0
|
O
|
A:HOH690
|
2.6
|
53.5
|
1.0
|
OD2
|
A:ASP185
|
2.9
|
60.9
|
1.0
|
CG
|
A:ASP185
|
2.9
|
67.3
|
1.0
|
CD
|
A:GLU187
|
3.5
|
66.3
|
1.0
|
CB
|
A:GLU187
|
4.3
|
59.4
|
1.0
|
CG
|
A:GLU187
|
4.3
|
63.1
|
1.0
|
OE2
|
A:GLU187
|
4.4
|
65.4
|
1.0
|
CB
|
A:ASP185
|
4.4
|
65.7
|
1.0
|
O
|
A:HOH632
|
4.5
|
49.8
|
1.0
|
N
|
A:GLU187
|
4.6
|
58.9
|
1.0
|
O
|
A:HOH701
|
4.9
|
66.2
|
1.0
|
OG1
|
A:THR188
|
4.9
|
68.3
|
1.0
|
N
|
A:THR188
|
5.0
|
63.8
|
1.0
|
|
Calcium binding site 3 out
of 9 in 4ecg
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Calcium Binding Sites List in 4ecg
Calcium binding site 3 out
of 9 in the Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca503
b:1.0
occ:1.00
|
O
|
A:HOH691
|
2.4
|
69.6
|
1.0
|
O
|
A:HOH673
|
2.8
|
59.6
|
1.0
|
CA
|
A:CA504
|
2.9
|
93.5
|
1.0
|
O
|
A:HOH674
|
2.9
|
55.4
|
1.0
|
OE1
|
A:GLU114
|
3.8
|
71.7
|
1.0
|
OD1
|
A:ASP127
|
3.9
|
57.1
|
1.0
|
OE2
|
A:GLU114
|
4.0
|
79.5
|
1.0
|
CD
|
A:GLU114
|
4.3
|
68.3
|
1.0
|
OD2
|
A:ASP131
|
4.3
|
59.6
|
1.0
|
OE2
|
A:GLU299
|
4.5
|
60.4
|
1.0
|
O
|
A:HOH709
|
4.5
|
62.6
|
1.0
|
OD2
|
A:ASP127
|
4.5
|
59.5
|
1.0
|
OE1
|
A:GLU299
|
4.6
|
60.5
|
1.0
|
CE
|
A:LYS272
|
4.6
|
51.1
|
1.0
|
NZ
|
A:LYS272
|
4.7
|
52.5
|
1.0
|
O
|
A:ASP131
|
4.7
|
49.6
|
1.0
|
CG
|
A:ASP127
|
4.7
|
53.9
|
1.0
|
OE2
|
A:GLU267
|
4.8
|
72.0
|
1.0
|
|
Calcium binding site 4 out
of 9 in 4ecg
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Calcium Binding Sites List in 4ecg
Calcium binding site 4 out
of 9 in the Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca504
b:93.5
occ:1.00
|
OD2
|
A:ASP131
|
2.5
|
59.6
|
1.0
|
OE2
|
A:GLU114
|
2.7
|
79.5
|
1.0
|
CA
|
A:CA503
|
2.9
|
1.0
|
1.0
|
OE2
|
A:GLU299
|
3.0
|
60.4
|
1.0
|
O
|
A:HOH616
|
3.1
|
62.2
|
1.0
|
OE2
|
A:GLU111
|
3.3
|
65.1
|
1.0
|
O
|
A:HOH674
|
3.5
|
55.4
|
1.0
|
CG
|
A:ASP131
|
3.7
|
58.5
|
1.0
|
NZ
|
A:LYS272
|
3.7
|
52.5
|
1.0
|
CD
|
A:GLU114
|
3.7
|
68.3
|
1.0
|
OE1
|
A:GLU111
|
3.8
|
60.8
|
1.0
|
CD
|
A:GLU299
|
3.9
|
64.7
|
1.0
|
NH2
|
A:ARG107
|
3.9
|
51.6
|
1.0
|
OE1
|
A:GLU114
|
4.0
|
71.7
|
1.0
|
CD
|
A:GLU111
|
4.0
|
52.4
|
1.0
|
O
|
A:HOH691
|
4.0
|
69.6
|
1.0
|
OE1
|
A:GLU299
|
4.1
|
60.5
|
1.0
|
OD1
|
A:ASP131
|
4.3
|
53.1
|
1.0
|
CE
|
A:LYS272
|
4.5
|
51.1
|
1.0
|
NE1
|
A:TRP110
|
4.5
|
52.4
|
1.0
|
CB
|
A:ASP131
|
4.7
|
52.6
|
1.0
|
O
|
A:ASP131
|
4.9
|
49.6
|
1.0
|
CZ
|
A:ARG107
|
4.9
|
48.8
|
1.0
|
|
Calcium binding site 5 out
of 9 in 4ecg
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Calcium Binding Sites List in 4ecg
Calcium binding site 5 out
of 9 in the Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca505
b:87.1
occ:1.00
|
O
|
A:HOH692
|
2.2
|
59.2
|
1.0
|
O
|
A:HOH680
|
2.5
|
58.6
|
1.0
|
OD1
|
A:ASP157
|
2.7
|
65.5
|
1.0
|
OD1
|
A:ASP159
|
3.0
|
92.0
|
1.0
|
OD2
|
A:ASP157
|
3.2
|
70.8
|
1.0
|
CG
|
A:ASP157
|
3.3
|
67.5
|
1.0
|
OD2
|
A:ASP159
|
3.7
|
83.4
|
1.0
|
CG
|
A:ASP159
|
3.7
|
81.8
|
1.0
|
CB
|
A:ASP157
|
4.7
|
60.1
|
1.0
|
|
Calcium binding site 6 out
of 9 in 4ecg
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Calcium Binding Sites List in 4ecg
Calcium binding site 6 out
of 9 in the Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca506
b:76.4
occ:1.00
|
O
|
A:HOH672
|
2.5
|
58.7
|
1.0
|
O
|
A:HOH671
|
2.5
|
69.0
|
1.0
|
OD1
|
A:ASP275
|
2.6
|
63.6
|
1.0
|
O
|
A:SER270
|
2.6
|
65.9
|
1.0
|
O
|
A:HOH670
|
2.8
|
47.4
|
1.0
|
CG
|
A:ASP275
|
3.5
|
61.1
|
1.0
|
C
|
A:SER270
|
3.6
|
49.6
|
1.0
|
OD2
|
A:ASP275
|
3.7
|
70.0
|
1.0
|
CB
|
A:SER270
|
4.1
|
50.9
|
1.0
|
CA
|
A:SER270
|
4.3
|
52.1
|
1.0
|
N
|
A:ALA271
|
4.4
|
50.6
|
1.0
|
CA
|
A:ALA271
|
4.4
|
48.8
|
1.0
|
O
|
A:HOH693
|
4.8
|
52.5
|
1.0
|
CG2
|
A:THR274
|
4.8
|
52.8
|
1.0
|
CB
|
A:THR274
|
4.9
|
52.1
|
1.0
|
CB
|
A:ASP275
|
4.9
|
55.1
|
1.0
|
|
Calcium binding site 7 out
of 9 in 4ecg
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Calcium Binding Sites List in 4ecg
Calcium binding site 7 out
of 9 in the Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca507
b:74.3
occ:1.00
|
O
|
A:HOH700
|
2.5
|
73.4
|
1.0
|
O
|
A:HOH617
|
2.6
|
57.1
|
1.0
|
OE1
|
A:GLU182
|
2.7
|
77.2
|
1.0
|
O
|
A:HOH701
|
2.8
|
66.2
|
1.0
|
CD
|
A:GLU182
|
3.6
|
73.6
|
1.0
|
CB
|
A:GLU182
|
4.3
|
61.9
|
1.0
|
O
|
A:PRO183
|
4.3
|
50.7
|
1.0
|
OE2
|
A:GLU182
|
4.3
|
74.5
|
1.0
|
CG
|
A:GLU182
|
4.5
|
69.1
|
1.0
|
|
Calcium binding site 8 out
of 9 in 4ecg
Go back to
Calcium Binding Sites List in 4ecg
Calcium binding site 8 out
of 9 in the Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca508
b:99.4
occ:1.00
|
O
|
A:HOH714
|
1.8
|
95.4
|
1.0
|
O
|
A:HOH711
|
2.5
|
67.7
|
1.0
|
O
|
A:HOH713
|
2.5
|
74.5
|
1.0
|
O
|
A:HOH712
|
2.8
|
60.5
|
1.0
|
OE2
|
A:GLU182
|
3.2
|
74.5
|
1.0
|
CD
|
A:GLU182
|
3.9
|
73.6
|
1.0
|
CG
|
A:GLU182
|
4.5
|
69.1
|
1.0
|
OE1
|
A:GLU182
|
4.6
|
77.2
|
1.0
|
CH2
|
A:TRP304
|
5.0
|
50.0
|
1.0
|
|
Calcium binding site 9 out
of 9 in 4ecg
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Calcium Binding Sites List in 4ecg
Calcium binding site 9 out
of 9 in the Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Crystal Structure of A Putative Iron-Regulated Protein A Precursor (BDI_2603) From Parabacteroides Distasonis Atcc 8503 at 2.30 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca509
b:79.9
occ:1.00
|
O
|
A:TRP133
|
2.3
|
52.3
|
1.0
|
O
|
A:HOH708
|
2.4
|
50.9
|
1.0
|
O
|
A:HOH710
|
2.4
|
72.5
|
1.0
|
O
|
A:HOH709
|
2.5
|
62.6
|
1.0
|
C
|
A:TRP133
|
3.6
|
49.0
|
1.0
|
O
|
A:HOH704
|
4.2
|
47.6
|
1.0
|
CD
|
A:PRO134
|
4.3
|
51.8
|
1.0
|
N
|
A:PRO134
|
4.4
|
51.6
|
1.0
|
N
|
A:TRP133
|
4.5
|
49.3
|
1.0
|
CA
|
A:TRP133
|
4.6
|
46.5
|
1.0
|
O
|
A:HOH673
|
4.7
|
59.6
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Sat Jul 13 23:53:59 2024
|