Atomistry » Calcium » PDB 1ck6-1cxi » 1cqr
Atomistry »
  Calcium »
    PDB 1ck6-1cxi »
      1cqr »

Calcium in PDB 1cqr: Crystal Structure of the Stromelysin Catalytic Domain at 2.0 A Resolution

Enzymatic activity of Crystal Structure of the Stromelysin Catalytic Domain at 2.0 A Resolution

All present enzymatic activity of Crystal Structure of the Stromelysin Catalytic Domain at 2.0 A Resolution:
3.4.24.17;

Protein crystallography data

The structure of Crystal Structure of the Stromelysin Catalytic Domain at 2.0 A Resolution, PDB code: 1cqr was solved by L.Chen, T.J.Rydel, F.Gu, C.M.Dunaway, S.Pikul, K.M.Dunham, B.L.Barnett, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 12.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 38.200, 79.100, 107.400, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 26.6

Other elements in 1cqr:

The structure of Crystal Structure of the Stromelysin Catalytic Domain at 2.0 A Resolution also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the Stromelysin Catalytic Domain at 2.0 A Resolution (pdb code 1cqr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structure of the Stromelysin Catalytic Domain at 2.0 A Resolution, PDB code: 1cqr:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 1cqr

Go back to Calcium Binding Sites List in 1cqr
Calcium binding site 1 out of 6 in the Crystal Structure of the Stromelysin Catalytic Domain at 2.0 A Resolution


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 Stromelysin Catalytic Domain at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1303

b:21.4
occ:1.00
 OD2 A:ASP181 2.3 9.2 1.0
OE2 A:GLU184 2.3 11.7 1.0
O A:GLY159 2.3 15.6 1.0
O A:VAL163 2.3 14.6 1.0
OD1 A:ASP158 2.3 14.2 1.0
O A:GLY161 2.4 15.9 1.0
CG A:ASP181 3.3 8.9 1.0
CD A:GLU184 3.5 10.2 1.0
C A:VAL163 3.5 11.1 1.0
C A:GLY161 3.5 11.0 1.0
C A:GLY159 3.5 14.4 1.0
CG A:ASP158 3.5 10.4 1.0
N A:GLY161 3.9 10.0 1.0
CB A:ASP181 4.0 4.9 1.0
C A:PRO160 4.1 10.4 1.0
OE1 A:GLU184 4.1 8.2 1.0
N A:VAL163 4.1 11.3 1.0
N A:GLY159 4.2 14.0 1.0
OD1 A:ASP181 4.2 9.7 1.0
OD2 A:ASP158 4.2 14.6 1.0
CA A:GLY161 4.2 11.0 1.0
CA A:VAL163 4.3 10.4 1.0
N A:PRO160 4.4 14.1 1.0
C A:ASP158 4.4 14.1 1.0
CA A:PRO160 4.4 12.1 1.0
N A:LEU164 4.4 10.9 1.0
N A:ASP158 4.5 12.9 1.0
CG A:GLU184 4.5 9.5 1.0
CA A:GLY159 4.5 12.6 1.0
C A:ASN162 4.5 8.3 1.0
O A:PRO160 4.5 11.3 1.0
CA A:LEU164 4.6 10.2 1.0
N A:ASN162 4.6 10.1 1.0
CB A:ASP158 4.6 14.8 1.0
CA A:ASP158 4.7 12.9 1.0
CB A:VAL163 4.7 8.8 1.0
O A:ASP158 4.8 16.2 1.0

Calcium binding site 2 out of 6 in 1cqr

Go back to Calcium Binding Sites List in 1cqr
Calcium binding site 2 out of 6 in the Crystal Structure of the Stromelysin Catalytic Domain at 2.0 A Resolution


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 Stromelysin Catalytic Domain at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1304

b:21.6
occ:1.00
 OD2 A:ASP107 2.4 10.8 1.0
O A:ASP182 2.4 11.9 1.0
OD1 A:ASP182 2.4 10.3 1.0
OD1 A:ASP107 2.4 16.2 1.0
O A:GLU184 2.4 14.4 1.0
O A:HOH43 2.4 21.2 1.0
O A:HOH6 2.4 10.8 1.0
CG A:ASP107 2.7 6.1 1.0
C A:ASP182 3.3 8.9 1.0
CG A:ASP182 3.4 8.0 1.0
C A:GLU184 3.5 10.8 1.0
CA A:ASP182 3.8 7.4 1.0
CB A:ASP182 4.0 8.4 1.0
OG1 A:THR105 4.2 8.8 1.0
CB A:ASP107 4.2 10.1 1.0
CA A:GLN185 4.3 12.6 1.0
N A:GLN185 4.3 12.3 1.0
CD1 A:TRP186 4.3 8.9 1.0
OD2 A:ASP182 4.3 11.2 1.0
N A:GLU184 4.4 13.1 1.0
N A:ASP183 4.4 9.2 1.0
C A:ASP183 4.6 11.6 1.0
CA A:GLU184 4.6 12.1 1.0
CA A:ASP183 4.7 10.5 1.0
OE1 A:GLN185 4.7 22.6 1.0
N A:TRP186 4.8 9.9 1.0
NE1 A:TRP186 4.9 5.7 1.0

Calcium binding site 3 out of 6 in 1cqr

Go back to Calcium Binding Sites List in 1cqr
Calcium binding site 3 out of 6 in the Crystal Structure of the Stromelysin Catalytic Domain at 2.0 A Resolution


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 Stromelysin Catalytic Domain at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1305

b:25.0
occ:1.00
 OD1 A:ASP177 2.3 8.1 1.0
O A:GLY173 2.3 15.6 1.0
O A:ASP141 2.3 13.2 1.0
O A:HOH59 2.3 5.4 1.0
O A:ASN175 2.4 15.3 1.0
O A:HOH33 2.4 12.1 1.0
CG A:ASP177 3.3 5.5 1.0
C A:ASP141 3.4 10.5 1.0
C A:GLY173 3.5 13.3 1.0
C A:ASN175 3.5 9.2 1.0
OD2 A:ASP177 3.7 5.7 1.0
C A:ILE174 4.0 12.4 1.0
N A:ASN175 4.0 10.9 1.0
O A:ALA140 4.0 12.8 1.0
CA A:ASP141 4.2 12.1 1.0
N A:GLY173 4.2 16.9 1.0
N A:ASP177 4.2 10.2 1.0
O A:ILE174 4.3 11.4 1.0
CA A:GLY173 4.3 14.6 1.0
CA A:ILE174 4.4 11.9 1.0
N A:ILE174 4.4 14.6 1.0
CA A:ASN175 4.4 13.1 1.0
N A:ILE142 4.4 14.3 1.0
N A:GLY176 4.4 10.2 1.0
O A:GLY171 4.5 18.0 1.0
CB A:ASP177 4.5 7.4 1.0
C A:GLY176 4.5 8.8 1.0
CA A:GLY176 4.5 8.6 1.0
O A:HOH58 4.5 23.5 1.0
C A:PRO172 4.6 18.1 1.0
N A:MET143 4.7 10.7 1.0
CA A:ILE142 4.7 12.9 1.0
CA A:ASP177 4.8 9.4 1.0
O A:HOH36 4.8 22.0 1.0
CG A:MET143 4.8 7.3 1.0
OE2 A:GLU139 4.9 42.7 1.0
O A:PRO172 4.9 16.8 1.0
C A:ALA140 5.0 10.4 1.0
CH2 A:TRP92 5.0 9.6 1.0

Calcium binding site 4 out of 6 in 1cqr

Go back to Calcium Binding Sites List in 1cqr
Calcium binding site 4 out of 6 in the Crystal Structure of the Stromelysin Catalytic Domain at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of the Stromelysin Catalytic Domain at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca2303

b:25.9
occ:1.00
 O B:GLY159 2.3 17.9 1.0
O B:VAL163 2.3 17.1 1.0
OD2 B:ASP181 2.3 17.0 1.0
OD1 B:ASP158 2.3 18.8 1.0
OE2 B:GLU184 2.3 23.9 1.0
O B:GLY161 2.3 23.7 1.0
CG B:ASP181 3.3 12.1 1.0
C B:VAL163 3.4 15.6 1.0
CD B:GLU184 3.5 21.4 1.0
C B:GLY159 3.5 16.2 1.0
C B:GLY161 3.5 21.9 1.0
CG B:ASP158 3.5 15.9 1.0
N B:VAL163 3.9 20.4 1.0
N B:GLY161 4.0 18.3 1.0
N B:GLY159 4.0 18.1 1.0
OE1 B:GLU184 4.1 22.1 1.0
CB B:ASP181 4.1 10.0 1.0
CA B:VAL163 4.1 17.6 1.0
OD2 B:ASP158 4.1 19.7 1.0
OD1 B:ASP181 4.2 13.0 1.0
C B:PRO160 4.2 19.0 1.0
C B:ASP158 4.2 19.7 1.0
N B:ASP158 4.3 19.1 1.0
C B:ASN162 4.3 21.6 1.0
CA B:GLY161 4.3 20.4 1.0
N B:PRO160 4.4 18.6 1.0
CA B:GLY159 4.4 16.9 1.0
CA B:PRO160 4.4 17.4 1.0
N B:LEU164 4.5 15.3 1.0
CB B:VAL163 4.5 16.7 1.0
N B:ASN162 4.5 22.8 1.0
CG B:GLU184 4.5 16.7 1.0
O B:PRO160 4.5 20.9 1.0
CA B:ASP158 4.6 18.8 1.0
CB B:ASP158 4.6 16.1 1.0
O B:ASP158 4.6 21.8 1.0
CA B:LEU164 4.8 13.1 1.0
O B:ASN162 4.8 22.3 1.0
CA B:ASN162 4.9 24.0 1.0

Calcium binding site 5 out of 6 in 1cqr

Go back to Calcium Binding Sites List in 1cqr
Calcium binding site 5 out of 6 in the Crystal Structure of the Stromelysin Catalytic Domain at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of the Stromelysin Catalytic Domain at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca2304

b:25.1
occ:1.00
 OD2 B:ASP107 2.3 18.0 1.0
O B:GLU184 2.3 14.1 1.0
O B:ASP182 2.4 17.9 1.0
OD1 B:ASP182 2.4 15.3 1.0
OD1 B:ASP107 2.4 16.4 1.0
O B:HOH62 2.4 28.2 1.0
O B:HOH34 2.4 12.8 1.0
CG B:ASP107 2.7 12.2 1.0
C B:ASP182 3.3 13.8 1.0
CG B:ASP182 3.4 8.9 1.0
C B:GLU184 3.5 14.0 1.0
CA B:ASP182 3.8 12.4 1.0
CB B:ASP182 4.1 7.2 1.0
OG1 B:THR105 4.1 10.3 1.0
CD1 B:TRP186 4.2 11.3 1.0
OE1 B:GLN185 4.2 40.3 1.0
CB B:ASP107 4.2 12.1 1.0
CA B:GLN185 4.3 18.3 1.0
N B:GLU184 4.3 17.6 1.0
N B:GLN185 4.3 15.9 1.0
O B:HOH32 4.3 28.3 1.0
OD2 B:ASP182 4.3 9.5 1.0
N B:ASP183 4.4 15.4 1.0
C B:ASP183 4.5 17.9 1.0
CA B:GLU184 4.6 16.0 1.0
CA B:ASP183 4.6 16.9 1.0
NE1 B:TRP186 4.7 11.4 1.0
N B:TRP186 4.8 14.7 1.0

Calcium binding site 6 out of 6 in 1cqr

Go back to Calcium Binding Sites List in 1cqr
Calcium binding site 6 out of 6 in the Crystal Structure of the Stromelysin Catalytic Domain at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of the Stromelysin Catalytic Domain at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca2305

b:23.4
occ:1.00
 O B:ASN175 2.3 16.4 1.0
O B:GLY173 2.3 17.9 1.0
OD1 B:ASP177 2.3 15.8 1.0
O B:ASP141 2.3 13.4 1.0
O B:HOH41 2.3 15.3 1.0
O B:HOH5 2.4 11.0 1.0
CG B:ASP177 3.4 13.1 1.0
C B:ASP141 3.4 12.5 1.0
C B:GLY173 3.5 16.5 1.0
C B:ASN175 3.5 14.1 1.0
OD2 B:ASP177 3.9 14.5 1.0
N B:ASN175 4.1 14.4 1.0
C B:ILE174 4.1 14.8 1.0
O B:ALA140 4.1 13.3 1.0
N B:GLY173 4.2 18.0 1.0
CA B:ASP141 4.2 13.2 1.0
N B:ASP177 4.2 11.4 1.0
O B:HOH78 4.2 26.2 1.0
C B:GLY176 4.3 12.3 1.0
CA B:GLY173 4.3 17.1 1.0
O B:ILE174 4.3 16.7 1.0
N B:GLY176 4.4 12.5 1.0
CA B:GLY176 4.4 11.4 1.0
N B:ILE174 4.4 15.0 1.0
O B:GLY171 4.4 14.7 1.0
CA B:ASN175 4.4 14.9 1.0
CA B:ILE174 4.4 14.5 1.0
N B:ILE142 4.5 12.3 1.0
CB B:ASP177 4.5 13.8 1.0
C B:PRO172 4.6 16.9 1.0
N B:MET143 4.7 11.7 1.0
CA B:ILE142 4.7 10.0 1.0
OE1 B:GLU139 4.7 52.1 1.0
CA B:ASP177 4.7 13.5 1.0
O B:HOH3 4.8 26.1 1.0
CG B:MET143 4.8 9.2 1.0
CH2 B:TRP92 4.8 9.7 1.0
O B:PRO172 4.9 18.6 1.0
O B:GLY176 4.9 12.5 1.0

Reference:

L.Chen, T.J.Rydel, F.Gu, C.M.Dunaway, S.Pikul, K.M.Dunham, B.L.Barnett. Crystal Structure of the Stromelysin Catalytic Domain at 2.0 A Resolution: Inhibitor-Induced Conformational Changes. J.Mol.Biol. V. 293 545 1999.
ISSN: ISSN 0022-2836
PubMed: 10543949
DOI: 10.1006/JMBI.1999.3147
Page generated: Thu Jul 11 07:07:36 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