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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:

Zinc (Zn) 2 atoms

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: Sat Dec 12 03:19:34 2020

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