Atomistry » Calcium » PDB 1ukg-1ux6 » 1usn
Atomistry »
  Calcium »
    PDB 1ukg-1ux6 »
      1usn »

Calcium in PDB 1usn: Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-142372

Enzymatic activity of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-142372

All present enzymatic activity of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-142372:
3.4.24.17;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-142372, PDB code: 1usn was solved by B.C.Finzel, G.L.Bryant Junior, E.T.Baldwin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.80
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 72.120, 72.120, 192.060, 90.00, 90.00, 120.00
R / Rfree (%) n/a / n/a

Other elements in 1usn:

The structure of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-142372 also contains other interesting chemical elements:

Fluorine (F) 5 atoms
Zinc (Zn) 3 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 Thiadiazole Inhibitor Pnu-142372 (pdb code 1usn). 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 Thiadiazole Inhibitor Pnu-142372, PDB code: 1usn:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 1usn

Go back to Calcium Binding Sites List in 1usn
Calcium binding site 1 out of 3 in the Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-142372


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 Thiadiazole Inhibitor Pnu-142372 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca259

b:19.2
occ:1.00
 OD1 A:ASP158 2.2 18.8 1.0
OE2 A:GLU184 2.3 21.0 1.0
O A:GLY159 2.3 24.0 1.0
O A:VAL163 2.4 17.5 1.0
O A:GLY161 2.4 23.2 1.0
OD2 A:ASP181 2.4 16.3 1.0
CG A:ASP158 3.4 19.7 1.0
CG A:ASP181 3.5 15.7 1.0
C A:GLY161 3.5 23.9 1.0
CD A:GLU184 3.6 19.6 1.0
C A:GLY159 3.6 24.1 1.0
C A:VAL163 3.6 16.8 1.0
N A:GLY161 3.9 24.9 1.0
N A:VAL163 4.0 18.8 1.0
OD2 A:ASP158 4.0 22.1 1.0
C A:PRO160 4.2 25.4 1.0
N A:GLY159 4.2 22.1 1.0
CA A:GLY161 4.2 23.7 1.0
CB A:ASP181 4.3 15.1 1.0
OE1 A:GLU184 4.3 20.9 1.0
C A:ASP158 4.3 22.1 1.0
CA A:VAL163 4.3 16.1 1.0
OD1 A:ASP181 4.3 14.6 1.0
CG A:GLU184 4.4 19.0 1.0
N A:PRO160 4.4 24.9 1.0
C A:ASN162 4.5 21.3 1.0
N A:ASP158 4.5 19.8 1.0
CA A:PRO160 4.5 25.4 1.0
CA A:GLY159 4.5 22.9 1.0
N A:ASN162 4.6 24.5 1.0
CB A:ASP158 4.6 20.2 1.0
N A:LEU164 4.6 15.5 1.0
CA A:ASP158 4.7 21.0 1.0
O A:ASP158 4.7 24.0 1.0
O A:HOH392 4.7 23.1 0.6
CB A:VAL163 4.7 13.1 1.0
O A:PRO160 4.8 26.1 1.0
CA A:LEU164 4.8 14.9 1.0
CA A:ASN162 4.9 23.5 1.0

Calcium binding site 2 out of 3 in 1usn

Go back to Calcium Binding Sites List in 1usn
Calcium binding site 2 out of 3 in the Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-142372


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 Thiadiazole Inhibitor Pnu-142372 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca260

b:15.0
occ:1.00
 O A:HOH307 2.3 18.0 1.0
O A:GLY173 2.3 16.2 1.0
OD1 A:ASP177 2.3 13.4 1.0
O A:ASN175 2.4 12.6 1.0
O A:ASP141 2.4 13.8 1.0
O A:HOH316 2.5 14.0 1.0
CG A:ASP177 3.4 12.0 1.0
C A:GLY173 3.5 16.1 1.0
C A:ASP141 3.5 12.3 1.0
C A:ASN175 3.6 11.1 1.0
OD2 A:ASP177 3.8 12.2 1.0
C A:ILE174 4.1 13.9 1.0
N A:ASP177 4.1 10.1 1.0
O A:ILE174 4.2 13.1 1.0
N A:ASN175 4.3 13.5 1.0
O A:ALA140 4.3 18.6 1.0
CA A:ASP141 4.4 13.2 1.0
O A:HOH345 4.4 22.0 1.0
N A:ILE174 4.4 15.2 1.0
CA A:GLY173 4.5 16.2 1.0
N A:GLY173 4.5 15.9 1.0
O A:GLY171 4.5 17.0 1.0
CA A:ILE174 4.5 14.3 1.0
N A:GLY176 4.5 9.8 1.0
N A:ILE142 4.5 12.7 1.0
OE2 A:GLU139 4.5 34.0 1.0
CA A:ASN175 4.5 12.6 1.0
CB A:ASP177 4.5 9.3 1.0
C A:GLY176 4.5 10.8 1.0
CA A:GLY176 4.6 10.0 1.0
CA A:ILE142 4.7 13.5 1.0
CA A:ASP177 4.7 10.4 1.0
O A:HOH309 4.8 18.1 0.8
N A:MET143 4.8 12.5 1.0
C A:PRO172 4.9 15.9 1.0
CH2 A:TRP92 5.0 11.7 1.0

Calcium binding site 3 out of 3 in 1usn

Go back to Calcium Binding Sites List in 1usn
Calcium binding site 3 out of 3 in the Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with Thiadiazole Inhibitor Pnu-142372


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 Thiadiazole Inhibitor Pnu-142372 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca261

b:19.8
occ:1.00
 O A:ASP182 2.2 16.7 1.0
O A:GLU184 2.5 19.9 1.0
OD2 A:ASP107 2.5 18.9 1.0
OD1 A:ASP107 2.5 21.1 1.0
O A:HOH331 2.5 15.6 0.8
O A:HOH321 2.6 20.4 0.8
OD1 A:ASP182 2.6 19.9 1.0
CG A:ASP107 2.9 19.6 1.0
C A:ASP182 3.4 16.6 1.0
C A:GLU184 3.7 19.0 1.0
CG A:ASP182 3.7 18.0 1.0
CA A:ASP182 4.1 16.1 1.0
OG1 A:THR105 4.1 13.7 1.0
N A:GLU184 4.2 18.4 1.0
CD1 A:TRP186 4.3 16.6 1.0
N A:ASP183 4.4 16.6 1.0
CB A:ASP107 4.4 18.4 1.0
CA A:GLN185 4.4 20.6 1.0
CB A:ASP182 4.4 16.6 1.0
C A:ASP183 4.5 19.0 1.0
N A:GLN185 4.5 20.7 1.0
CA A:ASP183 4.6 17.3 1.0
CA A:GLU184 4.7 18.8 1.0
OD2 A:ASP182 4.7 20.9 1.0
N A:TRP186 4.7 19.9 1.0
NE1 A:TRP186 4.8 15.3 1.0
NE2 A:GLN185 4.9 36.3 1.0

Reference:

B.C.Finzel, E.T.Baldwin, G.L.Bryant Jr., G.F.Hess, J.W.Wilks, C.M.Trepod, J.E.Mott, V.P.Marshall, G.L.Petzold, R.A.Poorman, T.J.O'sullivan, H.J.Schostarez, M.A.Mitchell. Structural Characterizations of Nonpeptidic Thiadiazole Inhibitors of Matrix Metalloproteinases Reveal the Basis For Stromelysin Selectivity. Protein Sci. V. 7 2118 1998.
ISSN: ISSN 0961-8368
PubMed: 9792098
Page generated: Thu Jul 11 23:38:11 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy