Calcium in PDB 3mzo: Crystal Structure of A Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 A Resolution
Protein crystallography data
The structure of Crystal Structure of A Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 A Resolution, PDB code: 3mzo
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)
|
48.74 /
1.98
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
101.243,
121.866,
66.621,
90.00,
121.36,
90.00
|
R / Rfree (%)
|
16.6 /
20
|
Calcium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Calcium atom in the Crystal Structure of A Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 A Resolution
(pdb code 3mzo). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 12 binding sites of Calcium where determined in the
Crystal Structure of A Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 A Resolution, PDB code: 3mzo:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 12 in 3mzo
Go back to
Calcium Binding Sites List in 3mzo
Calcium binding site 1 out
of 12 in the Crystal Structure of A Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 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 Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca301
b:56.9
occ:1.00
|
OD2
|
A:ASP68
|
2.4
|
27.0
|
1.0
|
O
|
A:HOH580
|
2.6
|
46.2
|
1.0
|
OD1
|
A:ASP137
|
2.6
|
24.4
|
1.0
|
NE2
|
A:HIS33
|
2.7
|
21.0
|
1.0
|
NE2
|
A:HIS67
|
2.9
|
24.9
|
1.0
|
CG
|
A:ASP68
|
3.2
|
28.3
|
1.0
|
OD2
|
A:ASP137
|
3.3
|
31.2
|
1.0
|
CG
|
A:ASP137
|
3.3
|
27.4
|
1.0
|
OD1
|
A:ASP68
|
3.3
|
20.8
|
1.0
|
CD2
|
A:HIS67
|
3.4
|
24.3
|
1.0
|
NZ
|
A:LYS78
|
3.4
|
45.1
|
1.0
|
O
|
A:HOH440
|
3.5
|
36.7
|
1.0
|
CE1
|
A:HIS33
|
3.6
|
23.4
|
1.0
|
NH1
|
A:ARG18
|
3.6
|
28.0
|
1.0
|
CD2
|
A:HIS33
|
3.6
|
21.7
|
1.0
|
CE1
|
A:HIS67
|
4.1
|
25.1
|
1.0
|
O
|
A:HOH357
|
4.2
|
29.5
|
1.0
|
CE
|
A:LYS78
|
4.5
|
60.1
|
1.0
|
CB
|
A:ASP68
|
4.6
|
23.1
|
1.0
|
O
|
A:HOH601
|
4.6
|
48.5
|
1.0
|
CB
|
A:ASP137
|
4.6
|
20.5
|
1.0
|
OE2
|
A:GLU71
|
4.6
|
30.5
|
0.5
|
ND1
|
A:HIS33
|
4.6
|
18.8
|
1.0
|
CZ
|
A:ARG18
|
4.7
|
28.2
|
1.0
|
CG
|
A:HIS67
|
4.7
|
24.2
|
1.0
|
CG
|
A:HIS33
|
4.7
|
20.7
|
1.0
|
NH2
|
A:ARG18
|
4.9
|
28.8
|
1.0
|
CD
|
A:LYS78
|
4.9
|
58.7
|
1.0
|
|
Calcium binding site 2 out
of 12 in 3mzo
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Calcium Binding Sites List in 3mzo
Calcium binding site 2 out
of 12 in the Crystal Structure of A Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 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 Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca304
b:39.2
occ:0.50
|
O
|
A:HOH409
|
2.4
|
33.6
|
1.0
|
O
|
A:HOH446
|
2.8
|
37.1
|
1.0
|
OH
|
A:TYR17
|
4.0
|
39.5
|
1.0
|
OE2
|
A:GLU27
|
4.0
|
38.2
|
0.5
|
OE2
|
A:GLU32
|
4.3
|
21.7
|
1.0
|
CE1
|
A:TYR17
|
4.4
|
32.4
|
1.0
|
OE1
|
A:GLU32
|
4.4
|
20.8
|
1.0
|
CZ
|
A:TYR17
|
4.7
|
36.6
|
1.0
|
CD
|
A:GLU32
|
4.8
|
25.1
|
1.0
|
|
Calcium binding site 3 out
of 12 in 3mzo
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Calcium Binding Sites List in 3mzo
Calcium binding site 3 out
of 12 in the Crystal Structure of A Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 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 Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca305
b:37.7
occ:1.00
|
O
|
A:HOH522
|
2.1
|
42.6
|
1.0
|
OD1
|
A:ASP68
|
2.4
|
20.8
|
1.0
|
O
|
A:HIS67
|
2.5
|
23.2
|
1.0
|
O
|
A:HOH583
|
2.5
|
46.3
|
1.0
|
O
|
A:HOH655
|
2.7
|
55.2
|
1.0
|
O
|
A:HOH527
|
2.7
|
43.2
|
1.0
|
O
|
A:HOH580
|
3.2
|
46.2
|
1.0
|
C
|
A:HIS67
|
3.5
|
24.8
|
1.0
|
CG
|
A:ASP68
|
3.6
|
28.3
|
1.0
|
CA
|
A:ASP68
|
3.8
|
22.4
|
1.0
|
N
|
A:ASP68
|
4.1
|
21.8
|
1.0
|
CB
|
A:ASP68
|
4.3
|
23.1
|
1.0
|
OE2
|
A:GLU71
|
4.4
|
30.5
|
0.5
|
CD2
|
A:HIS67
|
4.4
|
24.3
|
1.0
|
OD2
|
A:ASP68
|
4.5
|
27.0
|
1.0
|
O
|
A:HOH461
|
4.5
|
38.5
|
1.0
|
OG
|
A:SER70
|
4.6
|
35.7
|
1.0
|
O
|
A:HOH574
|
4.6
|
45.8
|
1.0
|
CA
|
A:HIS67
|
4.7
|
21.8
|
1.0
|
O
|
A:HOH398
|
4.8
|
32.8
|
1.0
|
CB
|
A:HIS67
|
4.8
|
21.6
|
1.0
|
CG
|
A:HIS67
|
4.9
|
24.2
|
1.0
|
C
|
A:ASP68
|
4.9
|
21.9
|
1.0
|
OE1
|
A:GLU96
|
5.0
|
69.1
|
1.0
|
|
Calcium binding site 4 out
of 12 in 3mzo
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Calcium Binding Sites List in 3mzo
Calcium binding site 4 out
of 12 in the Crystal Structure of A Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 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 Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca306
b:54.7
occ:1.00
|
OD1
|
A:ASP50
|
2.4
|
43.5
|
1.0
|
O
|
A:HOH605
|
2.7
|
49.1
|
1.0
|
CG
|
A:ASP50
|
3.6
|
43.9
|
1.0
|
OD2
|
A:ASP50
|
4.2
|
43.6
|
1.0
|
CA
|
A:ASP50
|
4.7
|
35.4
|
1.0
|
CB
|
A:ASP50
|
4.8
|
34.9
|
1.0
|
N
|
A:ASP50
|
4.9
|
33.3
|
1.0
|
|
Calcium binding site 5 out
of 12 in 3mzo
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Calcium Binding Sites List in 3mzo
Calcium binding site 5 out
of 12 in the Crystal Structure of A Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 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 Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca307
b:36.9
occ:1.00
|
O
|
A:HOH366
|
2.4
|
30.6
|
1.0
|
O
|
A:HOH516
|
2.6
|
42.3
|
1.0
|
OD2
|
A:ASP125
|
4.0
|
34.8
|
1.0
|
O
|
A:HOH396
|
4.3
|
32.8
|
1.0
|
NZ
|
A:LYS63
|
4.4
|
23.8
|
1.0
|
O
|
A:HOH465
|
4.7
|
38.9
|
1.0
|
O
|
A:HOH331
|
4.8
|
26.2
|
1.0
|
NZ
|
A:LYS121
|
4.9
|
31.9
|
1.0
|
CE
|
A:LYS63
|
4.9
|
25.1
|
1.0
|
CG2
|
A:THR127
|
4.9
|
31.6
|
1.0
|
|
Calcium binding site 6 out
of 12 in 3mzo
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Calcium Binding Sites List in 3mzo
Calcium binding site 6 out
of 12 in the Crystal Structure of A Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 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 Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca308
b:63.1
occ:1.00
|
O
|
A:HOH675
|
2.4
|
60.4
|
1.0
|
O
|
A:HOH512
|
2.6
|
42.0
|
1.0
|
O
|
A:HOH378
|
2.6
|
31.6
|
1.0
|
O
|
A:HOH586
|
2.6
|
46.5
|
1.0
|
OE1
|
A:GLU184
|
2.8
|
34.0
|
1.0
|
O
|
A:HOH632
|
3.0
|
51.2
|
1.0
|
CD
|
A:GLU184
|
3.8
|
33.1
|
1.0
|
O
|
A:HOH370
|
4.0
|
31.0
|
1.0
|
OE2
|
A:GLU184
|
4.1
|
37.7
|
1.0
|
O
|
A:HOH415
|
4.3
|
34.2
|
1.0
|
OD1
|
A:ASP188
|
4.9
|
26.4
|
1.0
|
O
|
A:HOH564
|
4.9
|
45.2
|
1.0
|
O
|
A:GLU184
|
5.0
|
27.6
|
1.0
|
CA
|
A:GLU184
|
5.0
|
29.0
|
1.0
|
|
Calcium binding site 7 out
of 12 in 3mzo
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Calcium Binding Sites List in 3mzo
Calcium binding site 7 out
of 12 in the Crystal Structure of A Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 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 Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca302
b:66.7
occ:1.00
|
OD2
|
B:ASP68
|
2.4
|
30.9
|
1.0
|
OD1
|
B:ASP137
|
2.6
|
28.1
|
1.0
|
O
|
B:HOH576
|
2.6
|
46.1
|
1.0
|
NE2
|
B:HIS33
|
2.8
|
26.3
|
1.0
|
NE2
|
B:HIS67
|
2.9
|
32.2
|
1.0
|
OD2
|
B:ASP137
|
3.0
|
33.8
|
1.0
|
CG
|
B:ASP137
|
3.1
|
32.6
|
1.0
|
CG
|
B:ASP68
|
3.2
|
29.6
|
1.0
|
CD2
|
B:HIS67
|
3.3
|
27.1
|
1.0
|
OD1
|
B:ASP68
|
3.3
|
26.6
|
1.0
|
O
|
B:HOH488
|
3.4
|
40.4
|
1.0
|
CE1
|
B:HIS33
|
3.7
|
28.5
|
1.0
|
CD2
|
B:HIS33
|
3.7
|
22.0
|
1.0
|
NZ
|
B:LYS78
|
3.7
|
52.3
|
1.0
|
NH1
|
B:ARG18
|
3.8
|
35.5
|
1.0
|
CE1
|
B:HIS67
|
4.1
|
30.1
|
1.0
|
O
|
B:HOH350
|
4.3
|
29.0
|
1.0
|
CB
|
B:ASP137
|
4.4
|
25.6
|
1.0
|
CG
|
B:HIS67
|
4.6
|
25.4
|
1.0
|
CB
|
B:ASP68
|
4.6
|
28.2
|
1.0
|
CE
|
B:LYS78
|
4.7
|
50.9
|
1.0
|
ND1
|
B:HIS33
|
4.8
|
25.8
|
1.0
|
CG
|
B:HIS33
|
4.8
|
22.5
|
1.0
|
OE2
|
B:GLU71
|
4.8
|
45.0
|
1.0
|
CZ
|
B:ARG18
|
4.9
|
33.6
|
1.0
|
ND1
|
B:HIS67
|
4.9
|
28.3
|
1.0
|
|
Calcium binding site 8 out
of 12 in 3mzo
Go back to
Calcium Binding Sites List in 3mzo
Calcium binding site 8 out
of 12 in the Crystal Structure of A Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 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 Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca309
b:69.1
occ:1.00
|
O
|
B:HOH472
|
2.3
|
39.2
|
1.0
|
O
|
B:HOH628
|
2.6
|
50.5
|
1.0
|
O
|
B:HOH592
|
2.7
|
47.6
|
1.0
|
O
|
B:HOH476
|
3.0
|
39.5
|
1.0
|
OH
|
C:TYR17
|
3.7
|
38.9
|
1.0
|
O
|
C:HOH479
|
3.7
|
39.6
|
1.0
|
OE2
|
B:GLU32
|
4.1
|
27.1
|
1.0
|
OE1
|
B:GLU32
|
4.1
|
22.5
|
1.0
|
CD
|
B:GLU32
|
4.5
|
26.2
|
1.0
|
O
|
C:GLU14
|
4.6
|
26.8
|
1.0
|
OH
|
B:TYR17
|
4.6
|
42.6
|
1.0
|
O
|
B:GLU27
|
4.7
|
31.0
|
1.0
|
CZ
|
C:TYR17
|
4.8
|
33.3
|
1.0
|
CE1
|
C:TYR17
|
4.8
|
31.1
|
1.0
|
CE1
|
B:TYR17
|
4.8
|
30.1
|
1.0
|
|
Calcium binding site 9 out
of 12 in 3mzo
Go back to
Calcium Binding Sites List in 3mzo
Calcium binding site 9 out
of 12 in the Crystal Structure of A Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 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 Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca310
b:41.7
occ:1.00
|
O
|
B:HOH575
|
2.2
|
46.0
|
1.0
|
OD1
|
B:ASP68
|
2.5
|
26.6
|
1.0
|
O
|
B:HOH550
|
2.5
|
44.1
|
1.0
|
O
|
B:HIS67
|
2.6
|
27.9
|
1.0
|
O
|
B:HOH477
|
2.6
|
39.6
|
1.0
|
O
|
B:HOH686
|
2.8
|
26.6
|
0.5
|
O
|
B:HOH576
|
3.0
|
46.1
|
1.0
|
C
|
B:HIS67
|
3.6
|
29.9
|
1.0
|
CG
|
B:ASP68
|
3.7
|
29.6
|
1.0
|
CA
|
B:ASP68
|
3.9
|
27.5
|
1.0
|
N
|
B:ASP68
|
4.2
|
26.0
|
1.0
|
O
|
B:HOH599
|
4.2
|
48.2
|
1.0
|
OG
|
B:SER70
|
4.3
|
38.4
|
1.0
|
CB
|
B:ASP68
|
4.4
|
28.2
|
1.0
|
OE2
|
B:GLU71
|
4.4
|
45.0
|
1.0
|
CD2
|
B:HIS67
|
4.5
|
27.1
|
1.0
|
OD2
|
B:ASP68
|
4.6
|
30.9
|
1.0
|
CA
|
B:HIS67
|
4.7
|
25.5
|
1.0
|
O
|
B:HOH443
|
4.7
|
37.0
|
1.0
|
OD2
|
B:ASP76
|
4.8
|
65.0
|
1.0
|
CB
|
B:HIS67
|
4.8
|
28.6
|
1.0
|
O
|
B:HOH686
|
4.8
|
30.3
|
0.5
|
O
|
B:HOH435
|
4.8
|
36.2
|
1.0
|
CG
|
B:HIS67
|
4.9
|
25.4
|
1.0
|
|
Calcium binding site 10 out
of 12 in 3mzo
Go back to
Calcium Binding Sites List in 3mzo
Calcium binding site 10 out
of 12 in the Crystal Structure of A Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 A Resolution
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Crystal Structure of A Hd-Domain Phosphohydrolase (LIN2634) From Listeria Innocua at 1.98 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca303
b:50.6
occ:1.00
|
OD2
|
C:ASP68
|
2.4
|
27.6
|
1.0
|
OD1
|
C:ASP137
|
2.5
|
27.3
|
1.0
|
NE2
|
C:HIS33
|
2.7
|
24.0
|
1.0
|
NE2
|
C:HIS67
|
2.8
|
30.1
|
1.0
|
OD2
|
C:ASP137
|
2.9
|
30.0
|
1.0
|
CG
|
C:ASP137
|
3.1
|
29.9
|
1.0
|
CG
|
C:ASP68
|
3.2
|
31.7
|
1.0
|
CD2
|
C:HIS67
|
3.3
|
28.8
|
1.0
|
OD1
|
C:ASP68
|
3.5
|
28.8
|
1.0
|
CE1
|
C:HIS33
|
3.6
|
27.5
|
1.0
|
NH1
|
C:ARG18
|
3.6
|
33.2
|
1.0
|
CD2
|
C:HIS33
|
3.6
|
24.2
|
1.0
|
O
|
C:HOH450
|
3.7
|
37.4
|
1.0
|
CE1
|
C:HIS67
|
3.9
|
30.3
|
1.0
|
O
|
C:HOH394
|
4.2
|
32.5
|
1.0
|
CB
|
C:ASP137
|
4.5
|
24.7
|
1.0
|
CB
|
C:ASP68
|
4.5
|
25.0
|
1.0
|
CG
|
C:HIS67
|
4.6
|
25.7
|
1.0
|
CZ
|
C:ARG18
|
4.7
|
31.5
|
1.0
|
ND1
|
C:HIS33
|
4.7
|
22.0
|
1.0
|
CG
|
C:HIS33
|
4.7
|
23.0
|
1.0
|
O
|
C:HOH603
|
4.9
|
48.6
|
1.0
|
ND1
|
C:HIS67
|
4.9
|
28.9
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Sat Jul 13 14:48:43 2024
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