Calcium in PDB 3g5c: Structural and Biochemical Studies on the Ectodomain of Human ADAM22
Protein crystallography data
The structure of Structural and Biochemical Studies on the Ectodomain of Human ADAM22, PDB code: 3g5c
was solved by
H.Liu,
A.Shim,
X.Chen,
X.He,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
50.00 /
2.36
|
Space group
|
H 3
|
Cell size a, b, c (Å), α, β, γ (°)
|
122.090,
122.090,
208.690,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
24.5 /
27.3
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Structural and Biochemical Studies on the Ectodomain of Human ADAM22
(pdb code 3g5c). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the
Structural and Biochemical Studies on the Ectodomain of Human ADAM22, PDB code: 3g5c:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
Calcium binding site 1 out
of 6 in 3g5c
Go back to
Calcium Binding Sites List in 3g5c
Calcium binding site 1 out
of 6 in the Structural and Biochemical Studies on the Ectodomain of Human ADAM22
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Structural and Biochemical Studies on the Ectodomain of Human ADAM22 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca801
b:48.9
occ:1.00
|
O
|
A:HOH800
|
2.2
|
92.6
|
1.0
|
O
|
A:CYS433
|
2.2
|
32.1
|
1.0
|
O
|
A:HOH776
|
2.3
|
74.2
|
1.0
|
OD1
|
A:ASN436
|
2.4
|
43.7
|
1.0
|
OD2
|
A:ASP325
|
2.5
|
43.7
|
1.0
|
OE2
|
A:GLU242
|
2.7
|
54.1
|
1.0
|
OD1
|
A:ASP325
|
2.7
|
41.5
|
1.0
|
CG
|
A:ASP325
|
2.9
|
38.9
|
1.0
|
CD
|
A:GLU242
|
3.3
|
45.0
|
1.0
|
CG
|
A:ASN436
|
3.3
|
36.2
|
1.0
|
C
|
A:CYS433
|
3.4
|
30.8
|
1.0
|
ND2
|
A:ASN436
|
3.5
|
32.0
|
1.0
|
OE1
|
A:GLU242
|
3.9
|
50.8
|
1.0
|
CG
|
A:GLU242
|
4.0
|
41.2
|
1.0
|
CA
|
A:CYS433
|
4.2
|
30.1
|
1.0
|
CB
|
A:CYS433
|
4.2
|
43.1
|
1.0
|
CB
|
A:GLU242
|
4.3
|
42.2
|
1.0
|
O
|
A:TYR240
|
4.3
|
45.8
|
1.0
|
N
|
A:LEU434
|
4.4
|
36.6
|
1.0
|
CB
|
A:ASP325
|
4.5
|
38.2
|
1.0
|
O
|
A:ASN436
|
4.6
|
52.2
|
1.0
|
CA
|
A:LEU434
|
4.6
|
38.9
|
1.0
|
CB
|
A:ASN436
|
4.7
|
43.8
|
1.0
|
N
|
A:ASN436
|
4.8
|
47.1
|
1.0
|
N
|
A:GLU242
|
4.9
|
31.3
|
1.0
|
SG
|
A:CYS433
|
4.9
|
46.0
|
1.0
|
|
Calcium binding site 2 out
of 6 in 3g5c
Go back to
Calcium Binding Sites List in 3g5c
Calcium binding site 2 out
of 6 in the Structural and Biochemical Studies on the Ectodomain of Human ADAM22
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Structural and Biochemical Studies on the Ectodomain of Human ADAM22 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca802
b:78.4
occ:1.00
|
OD2
|
A:ASP459
|
2.2
|
64.6
|
1.0
|
O
|
A:GLU446
|
2.3
|
98.4
|
1.0
|
OD1
|
A:ASN449
|
2.4
|
56.9
|
1.0
|
OE1
|
A:GLU453
|
2.5
|
79.6
|
1.0
|
OE1
|
A:GLU456
|
2.7
|
0.9
|
1.0
|
OE2
|
A:GLU456
|
2.8
|
95.9
|
1.0
|
O
|
A:PHE451
|
2.9
|
57.2
|
1.0
|
CD
|
A:GLU456
|
3.1
|
98.3
|
1.0
|
CG
|
A:ASN449
|
3.2
|
59.3
|
1.0
|
C
|
A:GLU446
|
3.2
|
0.0
|
1.0
|
CG
|
A:ASP459
|
3.5
|
80.6
|
1.0
|
CA
|
A:CYS447
|
3.5
|
78.3
|
1.0
|
ND2
|
A:ASN449
|
3.5
|
57.2
|
1.0
|
N
|
A:GLY448
|
3.6
|
91.8
|
1.0
|
N
|
A:CYS447
|
3.7
|
78.3
|
1.0
|
CD
|
A:GLU453
|
3.7
|
80.7
|
1.0
|
N
|
A:ASN449
|
3.9
|
85.0
|
1.0
|
C
|
A:CYS447
|
4.0
|
75.7
|
1.0
|
C
|
A:PHE451
|
4.1
|
55.0
|
1.0
|
OD1
|
A:ASP459
|
4.2
|
72.4
|
1.0
|
N
|
A:GLU446
|
4.2
|
97.8
|
1.0
|
CA
|
A:GLU446
|
4.3
|
99.7
|
1.0
|
CB
|
A:ASN449
|
4.4
|
64.2
|
1.0
|
N
|
A:PHE451
|
4.4
|
54.5
|
1.0
|
CG
|
A:GLU453
|
4.5
|
76.2
|
1.0
|
CB
|
A:ASP459
|
4.5
|
83.6
|
1.0
|
OE2
|
A:GLU446
|
4.6
|
0.8
|
1.0
|
CG
|
A:GLU456
|
4.6
|
99.3
|
1.0
|
OE2
|
A:GLU453
|
4.6
|
77.8
|
1.0
|
SG
|
A:CYS477
|
4.6
|
92.4
|
1.0
|
CA
|
A:ASN449
|
4.6
|
80.6
|
1.0
|
N
|
A:GLY450
|
4.7
|
83.1
|
1.0
|
CA
|
A:GLY448
|
4.7
|
90.6
|
1.0
|
CA
|
A:PHE451
|
4.7
|
53.7
|
1.0
|
CB
|
A:CYS447
|
4.8
|
0.7
|
1.0
|
C
|
A:GLY448
|
4.8
|
87.7
|
1.0
|
N
|
A:GLU453
|
4.9
|
91.2
|
1.0
|
CB
|
A:GLU453
|
5.0
|
75.5
|
1.0
|
|
Calcium binding site 3 out
of 6 in 3g5c
Go back to
Calcium Binding Sites List in 3g5c
Calcium binding site 3 out
of 6 in the Structural and Biochemical Studies on the Ectodomain of Human ADAM22
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Structural and Biochemical Studies on the Ectodomain of Human ADAM22 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca803
b:47.5
occ:1.00
|
O
|
A:ILE512
|
2.4
|
27.2
|
1.0
|
OD1
|
A:ASN526
|
2.5
|
31.6
|
1.0
|
OD2
|
A:ASP511
|
2.5
|
31.5
|
1.0
|
O
|
A:ILE527
|
2.6
|
38.5
|
1.0
|
O
|
A:HOH109
|
2.6
|
61.9
|
1.0
|
OE2
|
A:GLU514
|
2.7
|
29.1
|
1.0
|
OE1
|
A:GLU514
|
2.7
|
52.9
|
1.0
|
CD
|
A:GLU514
|
2.8
|
47.8
|
1.0
|
CG
|
A:ASP511
|
3.2
|
26.9
|
1.0
|
OD1
|
A:ASP511
|
3.3
|
26.0
|
1.0
|
CG
|
A:ASN526
|
3.5
|
40.6
|
1.0
|
C
|
A:ILE512
|
3.5
|
28.8
|
1.0
|
C
|
A:ILE527
|
3.6
|
40.8
|
1.0
|
N
|
A:ILE512
|
3.8
|
27.3
|
1.0
|
N
|
A:ILE527
|
3.8
|
41.1
|
1.0
|
CG
|
A:GLU514
|
4.0
|
50.0
|
1.0
|
ND2
|
A:ASN526
|
4.1
|
42.8
|
1.0
|
CA
|
A:ILE512
|
4.2
|
26.9
|
1.0
|
O
|
A:HOH192
|
4.3
|
62.7
|
1.0
|
CA
|
A:ILE527
|
4.4
|
38.4
|
1.0
|
C
|
A:ASN526
|
4.5
|
40.3
|
1.0
|
CB
|
A:ASP511
|
4.5
|
29.9
|
1.0
|
N
|
A:ARG513
|
4.5
|
46.7
|
1.0
|
CA
|
A:ASN526
|
4.5
|
40.6
|
1.0
|
CB
|
A:ILE512
|
4.6
|
33.6
|
1.0
|
O
|
A:HOH28
|
4.6
|
70.6
|
1.0
|
CB
|
A:ASN526
|
4.6
|
37.5
|
1.0
|
N
|
A:HIS528
|
4.6
|
38.1
|
1.0
|
C
|
A:ASP511
|
4.7
|
40.0
|
1.0
|
CA
|
A:ARG513
|
4.8
|
50.6
|
1.0
|
CA
|
A:HIS528
|
4.8
|
36.8
|
1.0
|
CD
|
A:ARG504
|
4.9
|
27.5
|
1.0
|
CA
|
A:ASP511
|
4.9
|
39.0
|
1.0
|
C
|
A:ARG513
|
4.9
|
51.3
|
1.0
|
|
Calcium binding site 4 out
of 6 in 3g5c
Go back to
Calcium Binding Sites List in 3g5c
Calcium binding site 4 out
of 6 in the Structural and Biochemical Studies on the Ectodomain of Human ADAM22
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Structural and Biochemical Studies on the Ectodomain of Human ADAM22 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca801
b:48.7
occ:1.00
|
O
|
B:CYS433
|
2.2
|
32.1
|
1.0
|
O
|
B:HOH778
|
2.2
|
59.9
|
1.0
|
O
|
B:HOH122
|
2.3
|
81.1
|
1.0
|
OD1
|
B:ASN436
|
2.3
|
43.7
|
1.0
|
OD2
|
B:ASP325
|
2.5
|
43.6
|
1.0
|
OE2
|
B:GLU242
|
2.6
|
54.0
|
1.0
|
OD1
|
B:ASP325
|
2.6
|
41.5
|
1.0
|
CG
|
B:ASP325
|
2.9
|
38.8
|
1.0
|
CD
|
B:GLU242
|
3.2
|
44.9
|
1.0
|
CG
|
B:ASN436
|
3.3
|
36.2
|
1.0
|
C
|
B:CYS433
|
3.4
|
30.7
|
1.0
|
ND2
|
B:ASN436
|
3.6
|
32.0
|
1.0
|
OE1
|
B:GLU242
|
3.9
|
50.7
|
1.0
|
CG
|
B:GLU242
|
4.0
|
41.1
|
1.0
|
O
|
B:TYR240
|
4.2
|
45.7
|
1.0
|
CA
|
B:CYS433
|
4.2
|
30.1
|
1.0
|
CB
|
B:GLU242
|
4.3
|
42.1
|
1.0
|
CB
|
B:CYS433
|
4.3
|
43.1
|
1.0
|
N
|
B:LEU434
|
4.4
|
36.6
|
1.0
|
CB
|
B:ASP325
|
4.5
|
38.1
|
1.0
|
CA
|
B:LEU434
|
4.5
|
39.0
|
1.0
|
O
|
B:ASN436
|
4.6
|
52.1
|
1.0
|
CB
|
B:ASN436
|
4.6
|
43.8
|
1.0
|
N
|
B:ASN436
|
4.7
|
47.1
|
1.0
|
N
|
B:GLU242
|
4.8
|
31.4
|
1.0
|
N
|
B:PHE435
|
4.9
|
53.7
|
1.0
|
SG
|
B:CYS433
|
5.0
|
46.0
|
1.0
|
|
Calcium binding site 5 out
of 6 in 3g5c
Go back to
Calcium Binding Sites List in 3g5c
Calcium binding site 5 out
of 6 in the Structural and Biochemical Studies on the Ectodomain of Human ADAM22
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Structural and Biochemical Studies on the Ectodomain of Human ADAM22 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca802
b:78.5
occ:1.00
|
OD2
|
B:ASP459
|
2.2
|
64.6
|
1.0
|
O
|
B:GLU446
|
2.3
|
98.4
|
1.0
|
OD1
|
B:ASN449
|
2.4
|
56.9
|
1.0
|
OE1
|
B:GLU453
|
2.6
|
79.6
|
1.0
|
OE2
|
B:GLU456
|
2.9
|
95.9
|
1.0
|
O
|
B:PHE451
|
2.9
|
57.3
|
1.0
|
OE1
|
B:GLU456
|
3.0
|
0.9
|
1.0
|
CG
|
B:ASN449
|
3.0
|
59.3
|
1.0
|
ND2
|
B:ASN449
|
3.3
|
57.2
|
1.0
|
CD
|
B:GLU456
|
3.3
|
98.3
|
1.0
|
C
|
B:GLU446
|
3.3
|
0.0
|
1.0
|
CG
|
B:ASP459
|
3.4
|
80.7
|
1.0
|
N
|
B:GLY448
|
3.5
|
91.8
|
1.0
|
CA
|
B:CYS447
|
3.7
|
78.3
|
1.0
|
N
|
B:ASN449
|
3.7
|
85.0
|
1.0
|
CD
|
B:GLU453
|
3.8
|
80.7
|
1.0
|
N
|
B:CYS447
|
3.9
|
78.3
|
1.0
|
C
|
B:PHE451
|
4.0
|
55.2
|
1.0
|
C
|
B:CYS447
|
4.1
|
75.7
|
1.0
|
CB
|
B:ASN449
|
4.1
|
64.2
|
1.0
|
OD1
|
B:ASP459
|
4.2
|
72.5
|
1.0
|
N
|
B:PHE451
|
4.2
|
54.6
|
1.0
|
CB
|
B:ASP459
|
4.4
|
83.6
|
1.0
|
N
|
B:GLY450
|
4.4
|
83.2
|
1.0
|
CA
|
B:ASN449
|
4.4
|
80.6
|
1.0
|
N
|
B:GLU446
|
4.4
|
97.8
|
1.0
|
CA
|
B:GLU446
|
4.5
|
99.7
|
1.0
|
OE2
|
B:GLU446
|
4.5
|
0.8
|
1.0
|
CA
|
B:PHE451
|
4.6
|
53.9
|
1.0
|
CA
|
B:GLY448
|
4.6
|
90.6
|
1.0
|
OE2
|
B:GLU453
|
4.6
|
77.9
|
1.0
|
CG
|
B:GLU453
|
4.6
|
76.2
|
1.0
|
C
|
B:GLY448
|
4.6
|
87.7
|
1.0
|
SG
|
B:CYS477
|
4.7
|
92.4
|
1.0
|
CG
|
B:GLU456
|
4.8
|
99.4
|
1.0
|
C
|
B:ASN449
|
4.8
|
78.4
|
1.0
|
CB
|
B:CYS447
|
4.9
|
0.7
|
1.0
|
CB
|
B:PHE451
|
4.9
|
72.0
|
1.0
|
N
|
B:GLU453
|
5.0
|
91.2
|
1.0
|
|
Calcium binding site 6 out
of 6 in 3g5c
Go back to
Calcium Binding Sites List in 3g5c
Calcium binding site 6 out
of 6 in the Structural and Biochemical Studies on the Ectodomain of Human ADAM22
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Structural and Biochemical Studies on the Ectodomain of Human ADAM22 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca803
b:47.5
occ:1.00
|
O
|
B:ILE512
|
2.5
|
27.2
|
1.0
|
OD1
|
B:ASN526
|
2.5
|
31.6
|
1.0
|
OE1
|
B:GLU514
|
2.6
|
53.0
|
1.0
|
OD2
|
B:ASP511
|
2.6
|
31.4
|
1.0
|
O
|
B:ILE527
|
2.6
|
38.5
|
1.0
|
O
|
B:HOH82
|
2.7
|
37.5
|
1.0
|
CD
|
B:GLU514
|
2.8
|
48.0
|
1.0
|
OE2
|
B:GLU514
|
2.8
|
29.2
|
1.0
|
CG
|
B:ASN526
|
3.3
|
40.6
|
1.0
|
CG
|
B:ASP511
|
3.3
|
26.8
|
1.0
|
OD1
|
B:ASP511
|
3.5
|
25.8
|
1.0
|
C
|
B:ILE512
|
3.6
|
28.9
|
1.0
|
C
|
B:ILE527
|
3.7
|
40.7
|
1.0
|
N
|
B:ILE527
|
3.7
|
41.1
|
1.0
|
ND2
|
B:ASN526
|
3.8
|
42.8
|
1.0
|
CG
|
B:GLU514
|
3.9
|
50.1
|
1.0
|
N
|
B:ILE512
|
4.0
|
27.3
|
1.0
|
O
|
B:HOH147
|
4.2
|
76.2
|
1.0
|
CA
|
B:ILE527
|
4.3
|
38.4
|
1.0
|
C
|
B:ASN526
|
4.3
|
40.3
|
1.0
|
CA
|
B:ILE512
|
4.4
|
27.0
|
1.0
|
CA
|
B:ASN526
|
4.4
|
40.6
|
1.0
|
CB
|
B:ASN526
|
4.4
|
37.5
|
1.0
|
O
|
B:HOH31
|
4.5
|
63.2
|
1.0
|
N
|
B:ARG513
|
4.6
|
46.7
|
1.0
|
N
|
B:HIS528
|
4.7
|
38.0
|
1.0
|
CB
|
B:ASP511
|
4.7
|
29.7
|
1.0
|
CD
|
B:ARG504
|
4.7
|
27.5
|
1.0
|
CB
|
B:ILE512
|
4.8
|
33.5
|
1.0
|
CA
|
B:ARG513
|
4.8
|
50.5
|
1.0
|
C
|
B:ARG513
|
4.9
|
51.3
|
1.0
|
CA
|
B:HIS528
|
4.9
|
36.6
|
1.0
|
C
|
B:ASP511
|
4.9
|
40.0
|
1.0
|
NH1
|
B:ARG504
|
5.0
|
46.8
|
1.0
|
N
|
B:GLU514
|
5.0
|
41.6
|
1.0
|
|
Reference:
H.Liu,
A.Shim,
X.Chen,
X.He.
Structural and Biochemical Studies on the Ectodomain of Human ADAM22 J.Biol.Chem. 2009.
ISSN: ESSN 1083-351X
Page generated: Sat Jul 13 10:29:14 2024
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