Calcium in PDB 1sln: Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the N-Carboxy-Alkyl Inhibitor L-702,842
Enzymatic activity of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the N-Carboxy-Alkyl Inhibitor L-702,842
All present enzymatic activity of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the N-Carboxy-Alkyl Inhibitor L-702,842:
3.4.24.17;
Protein crystallography data
The structure of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the N-Carboxy-Alkyl Inhibitor L-702,842, PDB code: 1sln
was solved by
J.W.Becker,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
8.00 /
2.27
|
Space group
|
P 31 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
47.230,
47.230,
150.850,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
22.6 /
29.9
|
Other elements in 1sln:
The structure of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the N-Carboxy-Alkyl Inhibitor L-702,842 also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the N-Carboxy-Alkyl Inhibitor L-702,842
(pdb code 1sln). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the
Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the N-Carboxy-Alkyl Inhibitor L-702,842, PDB code: 1sln:
Jump to Calcium binding site number:
1;
2;
3;
Calcium binding site 1 out
of 3 in 1sln
Go back to
Calcium Binding Sites List in 1sln
Calcium binding site 1 out
of 3 in the Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the N-Carboxy-Alkyl Inhibitor L-702,842
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 the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the N-Carboxy-Alkyl Inhibitor L-702,842 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca259
b:7.6
occ:1.00
|
O
|
A:VAL163
|
2.3
|
6.2
|
1.0
|
O
|
A:GLY159
|
2.3
|
7.8
|
1.0
|
O
|
A:GLY161
|
2.4
|
9.5
|
1.0
|
OE2
|
A:GLU184
|
2.4
|
16.9
|
1.0
|
OD2
|
A:ASP181
|
2.5
|
4.8
|
1.0
|
OD1
|
A:ASP158
|
2.6
|
11.0
|
1.0
|
CG
|
A:ASP181
|
3.4
|
8.0
|
1.0
|
C
|
A:VAL163
|
3.5
|
7.7
|
1.0
|
C
|
A:GLY159
|
3.5
|
7.0
|
1.0
|
C
|
A:GLY161
|
3.6
|
9.7
|
1.0
|
CD
|
A:GLU184
|
3.7
|
17.3
|
1.0
|
CG
|
A:ASP158
|
3.8
|
10.9
|
1.0
|
N
|
A:GLY161
|
3.9
|
8.1
|
1.0
|
C
|
A:PRO160
|
3.9
|
8.4
|
1.0
|
H
|
A:ASP158
|
4.0
|
0.0
|
1.0
|
CB
|
A:ASP181
|
4.0
|
7.8
|
1.0
|
H
|
A:GLY161
|
4.1
|
0.0
|
1.0
|
N
|
A:VAL163
|
4.2
|
7.7
|
1.0
|
N
|
A:GLY159
|
4.2
|
7.7
|
1.0
|
O
|
A:PRO160
|
4.3
|
11.6
|
1.0
|
CA
|
A:GLY161
|
4.3
|
8.2
|
1.0
|
OD1
|
A:ASP181
|
4.3
|
10.1
|
1.0
|
O
|
A:HOH507
|
4.3
|
20.3
|
1.0
|
CA
|
A:VAL163
|
4.3
|
5.7
|
1.0
|
CA
|
A:PRO160
|
4.3
|
7.7
|
1.0
|
C
|
A:ASP158
|
4.3
|
9.6
|
1.0
|
N
|
A:PRO160
|
4.4
|
8.0
|
1.0
|
H
|
A:VAL163
|
4.4
|
0.0
|
1.0
|
C
|
A:ASN162
|
4.4
|
8.9
|
1.0
|
N
|
A:LEU164
|
4.4
|
7.8
|
1.0
|
CG
|
A:GLU184
|
4.4
|
14.1
|
1.0
|
H
|
A:GLY159
|
4.4
|
0.0
|
1.0
|
OD2
|
A:ASP158
|
4.4
|
12.4
|
1.0
|
H2
|
A:HOH507
|
4.4
|
0.0
|
1.0
|
CA
|
A:LEU164
|
4.5
|
7.8
|
1.0
|
CA
|
A:GLY159
|
4.5
|
8.0
|
1.0
|
N
|
A:ASP158
|
4.5
|
6.8
|
1.0
|
OE1
|
A:GLU184
|
4.6
|
19.9
|
1.0
|
H1
|
A:HOH507
|
4.6
|
0.0
|
1.0
|
N
|
A:ASN162
|
4.6
|
10.3
|
1.0
|
O
|
A:ASN162
|
4.6
|
9.9
|
1.0
|
O
|
A:ASP158
|
4.7
|
8.6
|
1.0
|
CA
|
A:ASP158
|
4.7
|
7.7
|
1.0
|
CB
|
A:ASP158
|
4.8
|
8.3
|
1.0
|
CB
|
A:VAL163
|
4.9
|
4.3
|
1.0
|
CA
|
A:ASN162
|
4.9
|
8.7
|
1.0
|
|
Calcium binding site 2 out
of 3 in 1sln
Go back to
Calcium Binding Sites List in 1sln
Calcium binding site 2 out
of 3 in the Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the N-Carboxy-Alkyl Inhibitor L-702,842
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 the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the N-Carboxy-Alkyl Inhibitor L-702,842 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca260
b:12.6
occ:1.00
|
O
|
A:ASP141
|
2.3
|
4.2
|
1.0
|
O
|
A:HOH312
|
2.3
|
3.9
|
1.0
|
O
|
A:HOH306
|
2.3
|
12.2
|
1.0
|
O
|
A:GLY173
|
2.4
|
6.6
|
1.0
|
O
|
A:ASN175
|
2.5
|
5.5
|
1.0
|
OD1
|
A:ASP177
|
2.5
|
8.1
|
1.0
|
H2
|
A:HOH312
|
3.0
|
0.0
|
1.0
|
H2
|
A:HOH306
|
3.1
|
0.0
|
1.0
|
H1
|
A:HOH312
|
3.1
|
0.0
|
1.0
|
H1
|
A:HOH306
|
3.1
|
0.0
|
1.0
|
CG
|
A:ASP177
|
3.4
|
4.9
|
1.0
|
C
|
A:ASP141
|
3.4
|
6.8
|
1.0
|
C
|
A:GLY173
|
3.6
|
4.7
|
1.0
|
C
|
A:ASN175
|
3.7
|
5.3
|
1.0
|
OD2
|
A:ASP177
|
3.7
|
4.7
|
1.0
|
H
|
A:MET143
|
3.9
|
0.0
|
1.0
|
C
|
A:ILE174
|
4.0
|
4.1
|
1.0
|
O
|
A:ALA140
|
4.0
|
8.9
|
1.0
|
H
|
A:ASP177
|
4.1
|
0.0
|
1.0
|
O
|
A:ILE174
|
4.1
|
2.1
|
1.0
|
CA
|
A:ASP141
|
4.2
|
6.6
|
1.0
|
N
|
A:ASP177
|
4.2
|
2.9
|
1.0
|
N
|
A:ASN175
|
4.2
|
4.0
|
1.0
|
CA
|
A:ILE174
|
4.4
|
3.3
|
1.0
|
N
|
A:ILE174
|
4.4
|
4.6
|
1.0
|
N
|
A:ILE142
|
4.4
|
8.5
|
1.0
|
O
|
A:GLY171
|
4.5
|
4.5
|
1.0
|
CA
|
A:GLY173
|
4.5
|
3.0
|
1.0
|
C
|
A:GLY176
|
4.5
|
3.1
|
1.0
|
H
|
A:ASN175
|
4.5
|
0.0
|
1.0
|
CA
|
A:GLY176
|
4.6
|
4.0
|
1.0
|
N
|
A:GLY176
|
4.6
|
5.9
|
1.0
|
N
|
A:GLY173
|
4.6
|
3.2
|
1.0
|
CA
|
A:ASN175
|
4.6
|
3.9
|
1.0
|
CB
|
A:ASP177
|
4.7
|
2.9
|
1.0
|
CA
|
A:ILE142
|
4.7
|
7.1
|
1.0
|
N
|
A:MET143
|
4.7
|
7.1
|
1.0
|
H
|
A:GLY173
|
4.7
|
0.0
|
1.0
|
CG
|
A:MET143
|
4.8
|
6.6
|
1.0
|
CA
|
A:ASP177
|
4.8
|
4.1
|
1.0
|
OE2
|
A:GLU139
|
5.0
|
30.5
|
1.0
|
C
|
A:ALA140
|
5.0
|
8.8
|
1.0
|
CH2
|
A:TRP92
|
5.0
|
8.1
|
1.0
|
C
|
A:PRO172
|
5.0
|
4.1
|
1.0
|
|
Calcium binding site 3 out
of 3 in 1sln
Go back to
Calcium Binding Sites List in 1sln
Calcium binding site 3 out
of 3 in the Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the N-Carboxy-Alkyl Inhibitor L-702,842
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 the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the N-Carboxy-Alkyl Inhibitor L-702,842 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca261
b:29.6
occ:1.00
|
O
|
A:ASP182
|
2.3
|
11.2
|
1.0
|
O
|
A:GLU184
|
2.4
|
11.2
|
1.0
|
OD2
|
A:ASP107
|
2.6
|
14.3
|
1.0
|
OD1
|
A:ASP182
|
2.6
|
12.2
|
1.0
|
OD1
|
A:ASP107
|
2.9
|
16.2
|
1.0
|
CG
|
A:ASP107
|
3.1
|
13.0
|
1.0
|
C
|
A:ASP182
|
3.4
|
10.0
|
1.0
|
CG
|
A:ASP182
|
3.6
|
12.5
|
1.0
|
C
|
A:GLU184
|
3.7
|
11.7
|
1.0
|
H
|
A:TRP186
|
3.9
|
0.0
|
1.0
|
CA
|
A:ASP182
|
4.0
|
11.1
|
1.0
|
OG1
|
A:THR105
|
4.1
|
17.6
|
1.0
|
H
|
A:GLU184
|
4.1
|
0.0
|
1.0
|
N
|
A:GLU184
|
4.2
|
11.7
|
1.0
|
HG1
|
A:THR105
|
4.2
|
0.0
|
1.0
|
CB
|
A:ASP182
|
4.2
|
11.0
|
1.0
|
CD1
|
A:TRP186
|
4.3
|
10.9
|
1.0
|
N
|
A:ASP183
|
4.4
|
8.9
|
1.0
|
CA
|
A:GLN185
|
4.5
|
14.5
|
1.0
|
C
|
A:ASP183
|
4.5
|
10.5
|
1.0
|
O
|
A:HOH412
|
4.5
|
2.6
|
1.0
|
N
|
A:GLN185
|
4.5
|
12.9
|
1.0
|
OD2
|
A:ASP182
|
4.5
|
16.0
|
1.0
|
CB
|
A:ASP107
|
4.6
|
13.7
|
1.0
|
H
|
A:ASP107
|
4.6
|
0.0
|
1.0
|
HE21
|
A:GLN185
|
4.6
|
0.0
|
1.0
|
CA
|
A:GLU184
|
4.6
|
11.6
|
1.0
|
CA
|
A:ASP183
|
4.7
|
10.4
|
1.0
|
HE1
|
A:TRP186
|
4.7
|
0.0
|
1.0
|
N
|
A:TRP186
|
4.8
|
13.0
|
1.0
|
NE2
|
A:GLN185
|
4.8
|
29.2
|
1.0
|
NE1
|
A:TRP186
|
4.8
|
9.6
|
1.0
|
O
|
A:HOH413
|
4.9
|
17.4
|
1.0
|
H2
|
A:HOH412
|
4.9
|
0.0
|
1.0
|
|
Reference:
J.W.Becker,
A.I.Marcy,
L.L.Rokosz,
M.G.Axel,
J.J.Burbaum,
P.M.Fitzgerald,
P.M.Cameron,
C.K.Esser,
W.K.Hagmann,
J.D.Hermes,
J.P.Springer.
Stromelysin-1: Three-Dimensional Structure of the Inhibited Catalytic Domain and of the C-Truncated Proenzyme. Protein Sci. V. 4 1966 1995.
ISSN: ISSN 0961-8368
PubMed: 8535233
Page generated: Thu Jul 11 22:42:02 2024
|