Atomistry » Calcium » PDB 1h80-1hny » 1hfs
Atomistry »
  Calcium »
    PDB 1h80-1hny »
      1hfs »

Calcium in PDB 1hfs: Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the N-Carboxy-Alkyl Inhibitor L-764,004

Enzymatic activity of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the N-Carboxy-Alkyl Inhibitor L-764,004

All present enzymatic activity of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the N-Carboxy-Alkyl Inhibitor L-764,004:
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-764,004, PDB code: 1hfs 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) 20.00 / 1.70
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 84.140, 85.350, 55.260, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 21.7

Other elements in 1hfs:

The structure of Crystal Structure of the Catalytic Domain of Human Fibroblast Stromelysin-1 Inhibited with the N-Carboxy-Alkyl Inhibitor L-764,004 also contains other interesting chemical elements:

Fluorine (F) 1 atom
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-764,004 (pdb code 1hfs). 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-764,004, PDB code: 1hfs:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 1hfs

Go back to Calcium Binding Sites List in 1hfs
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-764,004


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-764,004 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca259

b:14.4
occ:1.00
 O A:GLY159 2.3 15.2 1.0
O A:GLY161 2.3 12.7 1.0
O A:VAL163 2.3 12.1 1.0
OE2 A:GLU184 2.4 16.2 1.0
OD2 A:ASP181 2.4 12.3 1.0
OD1 A:ASP158 2.5 13.6 1.0
CG A:ASP181 3.4 10.9 1.0
C A:VAL163 3.5 11.3 1.0
C A:GLY159 3.5 15.1 1.0
C A:GLY161 3.5 13.6 1.0
CD A:GLU184 3.6 15.4 1.0
CG A:ASP158 3.7 14.6 1.0
N A:GLY161 3.9 14.4 1.0
CB A:ASP181 4.0 11.2 1.0
N A:VAL163 4.0 11.5 1.0
N A:GLY159 4.1 14.4 1.0
C A:PRO160 4.1 15.2 1.0
C A:ASP158 4.3 15.7 1.0
CA A:GLY161 4.3 14.4 1.0
CA A:VAL163 4.3 11.6 1.0
OD1 A:ASP181 4.3 11.6 1.0
OE1 A:GLU184 4.3 15.4 1.0
OD2 A:ASP158 4.3 16.5 1.0
C A:ASN162 4.4 12.9 1.0
N A:ASP158 4.4 15.6 1.0
CA A:GLY159 4.4 14.7 1.0
N A:PRO160 4.4 15.9 1.0
N A:LEU164 4.5 10.2 1.0
CA A:PRO160 4.5 15.5 1.0
O A:PRO160 4.5 16.6 1.0
CG A:GLU184 4.5 13.4 1.0
N A:ASN162 4.6 14.0 1.0
CA A:LEU164 4.6 10.8 1.0
O A:HOH485 4.6 36.4 1.0
O A:ASP158 4.7 16.6 1.0
CA A:ASP158 4.7 15.3 1.0
CB A:ASP158 4.8 14.5 1.0
CB A:VAL163 4.8 10.4 1.0
CA A:ASN162 4.8 14.4 1.0
CB A:ASN162 4.8 15.1 1.0
O A:ASN162 4.9 14.1 1.0

Calcium binding site 2 out of 3 in 1hfs

Go back to Calcium Binding Sites List in 1hfs
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-764,004


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-764,004 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca260

b:15.6
occ:1.00
 O A:HOH312 2.3 17.9 1.0
O A:HOH306 2.3 11.5 1.0
O A:GLY173 2.4 17.1 1.0
O A:ASP141 2.4 13.2 1.0
O A:ASN175 2.4 13.2 1.0
OD1 A:ASP177 2.6 13.4 1.0
CG A:ASP177 3.5 12.1 1.0
C A:ASP141 3.5 11.9 1.0
C A:ASN175 3.6 13.6 1.0
C A:GLY173 3.6 16.4 1.0
OD2 A:ASP177 3.9 13.8 1.0
C A:ILE174 4.1 15.3 1.0
N A:ASP177 4.1 12.0 1.0
O A:ALA140 4.1 14.9 1.0
N A:ASN175 4.2 14.1 1.0
O A:ILE174 4.2 14.5 1.0
CA A:ASP141 4.2 12.3 1.0
O A:GLY171 4.3 17.3 1.0
N A:GLY173 4.4 16.4 1.0
C A:GLY176 4.4 12.0 1.0
CA A:GLY176 4.4 12.1 1.0
O A:HOH328 4.4 21.0 1.0
N A:GLY176 4.4 11.9 1.0
CA A:GLY173 4.5 16.8 1.0
N A:ILE174 4.5 15.9 1.0
CA A:ASN175 4.5 14.5 1.0
CA A:ILE174 4.5 16.1 1.0
N A:ILE142 4.5 10.6 1.0
C A:PRO172 4.6 17.1 1.0
CB A:ASP177 4.7 10.9 1.0
O A:HOH324 4.7 21.7 1.0
OE2 A:GLU139 4.8 36.2 1.0
CA A:ILE142 4.8 11.6 1.0
CA A:ASP177 4.8 12.3 1.0
N A:MET143 4.8 11.1 1.0
CH2 A:TRP92 4.8 14.4 1.0
O A:HOH405 4.8 35.6 1.0
O A:PRO172 4.9 17.3 1.0
CG A:MET143 5.0 12.2 1.0

Calcium binding site 3 out of 3 in 1hfs

Go back to Calcium Binding Sites List in 1hfs
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-764,004


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-764,004 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca261

b:16.5
occ:1.00
 O A:ASP182 2.3 13.5 1.0
O A:HOH332 2.3 19.7 1.0
O A:HOH313 2.3 20.4 1.0
O A:GLU184 2.5 13.4 1.0
OD2 A:ASP107 2.5 15.1 1.0
OD1 A:ASP182 2.6 12.9 1.0
OD1 A:ASP107 2.7 15.0 1.0
CG A:ASP107 2.9 13.3 1.0
C A:ASP182 3.3 13.7 1.0
CG A:ASP182 3.5 11.7 1.0
C A:GLU184 3.6 13.2 1.0
CA A:ASP182 3.9 13.0 1.0
OG1 A:THR105 4.1 14.3 1.0
CB A:ASP182 4.2 11.3 1.0
N A:GLU184 4.2 13.5 1.0
OE1 A:GLN185 4.3 26.2 1.0
CA A:GLN185 4.3 14.2 1.0
O A:HOH402 4.4 64.8 1.0
N A:ASP183 4.4 13.2 1.0
N A:GLN185 4.4 14.7 1.0
OD2 A:ASP182 4.4 15.2 1.0
CD1 A:TRP186 4.4 11.5 1.0
C A:ASP183 4.4 14.2 1.0
CB A:ASP107 4.4 13.6 1.0
O A:HOH385 4.5 50.6 1.0
O A:HOH372 4.6 36.1 1.0
CA A:ASP183 4.6 13.9 1.0
CA A:GLU184 4.6 13.1 1.0
O A:HOH412 4.7 29.0 1.0
N A:TRP186 4.7 12.8 1.0
O A:HOH413 4.9 38.7 1.0
NE1 A:TRP186 5.0 12.2 1.0
O A:ASP183 5.0 15.1 1.0

Reference:

C.K.Esser, R.L.Bugianesi, C.G.Caldwell, K.T.Chapman, P.L.Durette, N.N.Girotra, I.E.Kopka, T.J.Lanza, D.A.Levorse, M.Maccoss, K.A.Owens, M.M.Ponpipom, J.P.Simeone, R.K.Harrison, L.Niedzwiecki, J.W.Becker, A.I.Marcy, M.G.Axel, A.J.Christen, J.Mcdonnell, V.L.Moore, J.M.Olszewski, C.Saphos, D.M.Visco, F.Shen, A.Colletti, P.A.Krieter, W.K.Hagmann. Inhibition of Stromelysin-1 (Mmp-3) By P1'-Biphenylylethyl Carboxyalkyl Dipeptides. J.Med.Chem. V. 40 1026 1997.
ISSN: ISSN 0022-2623
PubMed: 9083493
DOI: 10.1021/JM960465T
Page generated: Thu Jul 11 10:02:01 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