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

Calcium in PDB 1caq: 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: 1caq 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 / 1.80
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 69.000, 69.000, 77.800, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 22.5

Other elements in 1caq:

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 1caq). 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: 1caq:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 1caq

Go back to Calcium Binding Sites List in 1caq
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:13.1
occ:1.00
 O A:GLY159 2.4 12.4 1.0
O A:VAL163 2.4 12.0 1.0
OE2 A:GLU184 2.4 12.4 1.0
OD1 A:ASP158 2.4 14.8 1.0
O A:GLY161 2.5 14.9 1.0
OD2 A:ASP181 2.5 10.4 1.0
CG A:ASP181 3.4 9.2 1.0
C A:VAL163 3.5 11.5 1.0
C A:GLY159 3.6 11.4 1.0
C A:GLY161 3.6 14.3 1.0
CD A:GLU184 3.6 12.9 1.0
CG A:ASP158 3.6 15.3 1.0
N A:GLY161 3.9 12.8 1.0
CB A:ASP181 4.1 7.8 1.0
N A:VAL163 4.1 12.3 1.0
N A:GLY159 4.1 9.7 1.0
C A:PRO160 4.2 12.6 1.0
OD2 A:ASP158 4.3 17.2 1.0
OD1 A:ASP181 4.3 10.3 1.0
C A:ASP158 4.3 12.7 1.0
N A:ASP158 4.3 11.3 1.0
OE1 A:GLU184 4.3 14.6 1.0
CA A:VAL163 4.4 12.7 1.0
CA A:GLY161 4.4 13.8 1.0
C A:ASN162 4.4 13.8 1.0
CA A:PRO160 4.5 12.9 1.0
CA A:GLY159 4.5 10.3 1.0
N A:PRO160 4.5 12.8 1.0
N A:LEU164 4.5 11.7 1.0
CG A:GLU184 4.6 9.6 1.0
CA A:ASP158 4.6 12.3 1.0
CA A:LEU164 4.6 9.0 1.0
N A:ASN162 4.7 13.6 1.0
O A:PRO160 4.7 12.3 1.0
O A:ASP158 4.7 13.3 1.0
CB A:ASP158 4.7 11.8 1.0
O A:HOH550 4.7 21.7 1.0
CA A:ASN162 4.8 14.1 1.0
CB A:VAL163 4.9 14.2 1.0
O A:ASN162 4.9 18.2 1.0
CB A:ASN162 4.9 17.4 1.0

Calcium binding site 2 out of 3 in 1caq

Go back to Calcium Binding Sites List in 1caq
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:13.6
occ:1.00
 O A:GLY173 2.4 10.9 1.0
O A:ASP141 2.4 10.3 1.0
O A:ASN175 2.5 8.9 1.0
OD1 A:ASP177 2.5 10.5 1.0
O A:HOH575 2.6 13.5 1.0
O A:HOH574 2.6 10.9 1.0
CG A:ASP177 3.4 9.6 1.0
C A:ASP141 3.5 10.9 1.0
C A:GLY173 3.6 13.1 1.0
C A:ASN175 3.6 9.4 1.0
OD2 A:ASP177 3.8 9.3 1.0
N A:ASP177 4.1 8.6 1.0
O A:ALA140 4.1 12.6 1.0
C A:ILE174 4.2 12.6 1.0
CA A:ASP141 4.3 9.6 1.0
N A:GLY173 4.3 11.6 1.0
N A:ASN175 4.3 9.9 1.0
CA A:GLY176 4.3 8.8 1.0
C A:GLY176 4.4 8.7 1.0
O A:GLY171 4.4 9.9 1.0
O A:ILE174 4.4 11.1 1.0
CA A:GLY173 4.4 12.3 1.0
N A:GLY176 4.5 8.7 1.0
N A:ILE142 4.5 10.3 1.0
CA A:ASN175 4.5 10.6 1.0
N A:ILE174 4.5 13.2 1.0
CA A:ILE174 4.6 14.6 1.0
CB A:ASP177 4.6 8.0 1.0
O A:HOH516 4.6 15.3 1.0
N A:MET143 4.6 10.8 1.0
C A:PRO172 4.6 12.2 1.0
CA A:ILE142 4.7 10.4 1.0
CA A:ASP177 4.7 9.1 1.0
CG A:MET143 4.8 8.1 1.0
O A:PRO172 4.9 13.3 1.0

Calcium binding site 3 out of 3 in 1caq

Go back to Calcium Binding Sites List in 1caq
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:34.7
occ:1.00
 OD2 A:ASP107 2.6 10.5 1.0
OD1 A:ASP182 2.6 11.8 1.0
O A:ASP182 2.6 8.9 1.0
O A:GLU184 2.6 13.3 1.0
O A:HOH576 2.7 55.9 1.0
CG A:ASP107 3.2 10.6 1.0
OD1 A:ASP107 3.2 10.3 1.0
C A:ASP182 3.3 8.3 1.0
CG A:ASP182 3.5 10.0 1.0
CA A:ASP182 3.6 8.1 1.0
OG1 A:THR105 3.8 7.4 1.0
O A:HOH503 3.8 9.6 1.0
C A:GLU184 3.8 12.9 1.0
CB A:ASP182 4.0 7.9 1.0
CD1 A:TRP186 4.1 9.2 1.0
N A:ASP183 4.4 8.4 1.0
N A:GLU184 4.4 10.6 1.0
CD A:PRO106 4.4 9.2 1.0
OD2 A:ASP182 4.5 9.6 1.0
CA A:GLN185 4.6 15.5 1.0
CB A:ASP107 4.6 8.5 1.0
NE1 A:TRP186 4.6 8.0 1.0
C A:ASP183 4.6 10.5 1.0
N A:GLN185 4.7 14.1 1.0
CA A:ASP183 4.7 9.9 1.0
CA A:GLU184 4.8 11.3 1.0
N A:TRP186 4.9 12.0 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 06:54:17 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy