Atomistry » Calcium » PDB 1c74-1cjy » 1ciz
Atomistry »
  Calcium »
    PDB 1c74-1cjy »
      1ciz »

Calcium in PDB 1ciz: X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity

Enzymatic activity of X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity

All present enzymatic activity of X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity:
3.4.24.17;

Protein crystallography data

The structure of X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity, PDB code: 1ciz was solved by A.G.Pavlovsky, M.G.Williams, Q.-Z.Ye, D.F.Ortwine, C.F.Purchase Ii, A.D.White, V.Dhanaraj, B.D.Roth, L.L.Johnson, D.Hupe, C.Humblet, T.L.Blundell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.64
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 69.370, 69.370, 74.400, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / 24.5

Other elements in 1ciz:

The structure of X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity (pdb code 1ciz). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity, PDB code: 1ciz:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 1ciz

Go back to Calcium Binding Sites List in 1ciz
Calcium binding site 1 out of 3 in the X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca303

b:11.6
occ:1.00
O A:GLY159 2.3 7.4 1.0
O A:VAL163 2.4 8.6 1.0
O A:GLY161 2.4 9.1 1.0
OE2 A:GLU184 2.4 8.9 1.0
OD1 A:ASP158 2.5 8.6 1.0
OD2 A:ASP181 2.5 7.2 1.0
CG A:ASP181 3.4 7.0 1.0
C A:VAL163 3.5 8.0 1.0
C A:GLY161 3.5 10.4 1.0
C A:GLY159 3.6 10.4 1.0
CD A:GLU184 3.6 8.4 1.0
CG A:ASP158 3.7 10.8 1.0
N A:GLY161 3.9 11.0 1.0
CB A:ASP181 4.0 5.3 1.0
N A:VAL163 4.0 10.6 1.0
C A:PRO160 4.2 11.2 1.0
OE1 A:GLU184 4.2 8.9 1.0
N A:GLY159 4.2 10.8 1.0
N A:ASP158 4.2 9.9 1.0
C A:ASP158 4.3 10.7 1.0
OD2 A:ASP158 4.3 11.2 1.0
CA A:GLY161 4.3 11.8 1.0
CA A:VAL163 4.3 9.5 1.0
C A:ASN162 4.3 12.2 1.0
OD1 A:ASP181 4.3 9.2 1.0
N A:LEU164 4.5 7.2 1.0
N A:PRO160 4.5 11.9 1.0
CA A:PRO160 4.5 11.5 1.0
CA A:GLY159 4.5 9.7 1.0
CA A:LEU164 4.6 6.8 1.0
CA A:ASP158 4.6 11.0 1.0
N A:ASN162 4.6 11.7 1.0
O A:ASP158 4.6 10.7 1.0
CG A:GLU184 4.7 9.1 1.0
O A:PRO160 4.7 11.5 1.0
CB A:ASP158 4.7 9.2 1.0
O A:ASN162 4.7 12.0 1.0
CA A:ASN162 4.8 13.6 1.0
CB A:VAL163 4.9 9.3 1.0
O A:HOH454 4.9 15.4 1.0
CB A:ASN162 4.9 17.2 1.0

Calcium binding site 2 out of 3 in 1ciz

Go back to Calcium Binding Sites List in 1ciz
Calcium binding site 2 out of 3 in the X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca304

b:6.6
occ:1.00
O A:GLY173 2.4 8.0 1.0
O A:ASP141 2.4 5.6 1.0
O A:ASN175 2.4 6.5 1.0
OD1 A:ASP177 2.5 6.7 1.0
O A:HOH404 2.5 7.1 1.0
O A:HOH403 2.6 6.7 1.0
CG A:ASP177 3.4 8.2 1.0
C A:ASP141 3.5 6.4 1.0
C A:GLY173 3.6 8.0 1.0
C A:ASN175 3.6 6.8 1.0
OD2 A:ASP177 3.8 7.7 1.0
O A:ALA140 4.0 9.9 1.0
N A:ASP177 4.0 4.8 1.0
C A:ILE174 4.1 8.5 1.0
N A:ASN175 4.3 7.9 1.0
O A:ILE174 4.3 8.4 1.0
O A:GLY171 4.3 8.5 1.0
N A:GLY173 4.3 8.4 1.0
CA A:GLY176 4.3 6.3 1.0
CA A:ASP141 4.3 5.9 1.0
C A:GLY176 4.4 5.7 1.0
CA A:GLY173 4.4 7.6 1.0
N A:GLY176 4.4 7.0 1.0
O A:HOH420 4.5 7.7 1.0
N A:ILE174 4.5 8.1 1.0
CA A:ILE174 4.5 9.5 1.0
N A:ILE142 4.6 5.6 1.0
CA A:ASN175 4.6 7.6 1.0
N A:MET143 4.6 7.4 1.0
CB A:ASP177 4.6 6.4 1.0
C A:PRO172 4.6 7.8 1.0
CG A:MET143 4.6 9.5 1.0
CA A:ASP177 4.7 6.2 1.0
CA A:ILE142 4.7 5.7 1.0
OE2 A:GLU139 4.8 18.2 1.0
CH2 A:TRP92 4.9 10.8 1.0
O A:PRO172 4.9 7.2 1.0

Calcium binding site 3 out of 3 in 1ciz

Go back to Calcium Binding Sites List in 1ciz
Calcium binding site 3 out of 3 in the X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of X-Ray Structure of Human Stromelysin Catalytic Domain Complexes with Non-Peptide Inhibitors: Implication For Inhibitor Selectivity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca305

b:21.5
occ:1.00
O A:GLU184 2.3 8.5 1.0
OD1 A:ASP182 2.4 7.2 1.0
OD2 A:ASP107 2.5 8.6 1.0
O A:ASP182 2.5 6.7 1.0
O A:HOH401 2.5 8.1 1.0
C A:ASP182 3.2 5.7 1.0
CG A:ASP107 3.2 7.6 1.0
OD1 A:ASP107 3.3 8.1 1.0
CG A:ASP182 3.4 9.9 1.0
CA A:ASP182 3.5 6.2 1.0
C A:GLU184 3.5 9.1 1.0
OG1 A:THR105 3.8 3.4 1.0
CD1 A:TRP186 3.8 6.6 1.0
CB A:ASP182 3.9 6.5 1.0
N A:GLU184 4.2 7.6 1.0
N A:ASP183 4.3 5.6 1.0
O A:HOH402 4.3 11.4 1.0
CA A:GLN185 4.3 10.4 1.0
NE1 A:TRP186 4.3 7.5 1.0
N A:GLN185 4.4 10.1 1.0
OD2 A:ASP182 4.4 9.2 1.0
CA A:GLU184 4.5 7.6 1.0
C A:ASP183 4.5 7.0 1.0
N A:TRP186 4.6 9.0 1.0
CB A:ASP107 4.6 6.3 1.0
CA A:ASP183 4.6 6.3 1.0
O A:ASP181 4.7 4.0 1.0
CD A:PRO106 4.8 5.0 1.0
N A:ASP182 4.8 5.8 1.0
NE2 A:GLN185 4.9 26.9 1.0
CG A:TRP186 4.9 5.8 1.0

Reference:

A.G.Pavlovsky, M.G.Williams, Q.Z.Ye, D.F.Ortwine, C.F.Purchase Ii, A.D.White, V.Dhanaraj, B.D.Roth, L.L.Johnson, D.Hupe, C.Humblet, T.L.Blundell. X-Ray Structure of Human Stromelysin Catalytic Domain Complexed with Nonpeptide Inhibitors: Implications For Inhibitor Selectivity. Protein Sci. V. 8 1455 1999.
ISSN: ISSN 0961-8368
PubMed: 10422833
Page generated: Thu Jul 11 07:00:27 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy