Atomistry » Calcium » PDB 1qd6-1qlk » 1qi2
Atomistry »
  Calcium »
    PDB 1qd6-1qlk »
      1qi2 »

Calcium in PDB 1qi2: Endoglucanase CEL5A From Bacillus Agaradhaerens in the Tetragonal Crystal Form in Complex with 2',4'-Dinitrophenyl 2-Deoxy-2-Fluoro-B- D-Cellotrioside

Enzymatic activity of Endoglucanase CEL5A From Bacillus Agaradhaerens in the Tetragonal Crystal Form in Complex with 2',4'-Dinitrophenyl 2-Deoxy-2-Fluoro-B- D-Cellotrioside

All present enzymatic activity of Endoglucanase CEL5A From Bacillus Agaradhaerens in the Tetragonal Crystal Form in Complex with 2',4'-Dinitrophenyl 2-Deoxy-2-Fluoro-B- D-Cellotrioside:
3.2.1.4;

Protein crystallography data

The structure of Endoglucanase CEL5A From Bacillus Agaradhaerens in the Tetragonal Crystal Form in Complex with 2',4'-Dinitrophenyl 2-Deoxy-2-Fluoro-B- D-Cellotrioside, PDB code: 1qi2 was solved by A.Varrot, M.Schulein, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.75
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 74.540, 74.540, 135.930, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 21

Other elements in 1qi2:

The structure of Endoglucanase CEL5A From Bacillus Agaradhaerens in the Tetragonal Crystal Form in Complex with 2',4'-Dinitrophenyl 2-Deoxy-2-Fluoro-B- D-Cellotrioside also contains other interesting chemical elements:

Fluorine (F) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Endoglucanase CEL5A From Bacillus Agaradhaerens in the Tetragonal Crystal Form in Complex with 2',4'-Dinitrophenyl 2-Deoxy-2-Fluoro-B- D-Cellotrioside (pdb code 1qi2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the Endoglucanase CEL5A From Bacillus Agaradhaerens in the Tetragonal Crystal Form in Complex with 2',4'-Dinitrophenyl 2-Deoxy-2-Fluoro-B- D-Cellotrioside, PDB code: 1qi2:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in 1qi2

Go back to Calcium Binding Sites List in 1qi2
Calcium binding site 1 out of 5 in the Endoglucanase CEL5A From Bacillus Agaradhaerens in the Tetragonal Crystal Form in Complex with 2',4'-Dinitrophenyl 2-Deoxy-2-Fluoro-B- D-Cellotrioside


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Endoglucanase CEL5A From Bacillus Agaradhaerens in the Tetragonal Crystal Form in Complex with 2',4'-Dinitrophenyl 2-Deoxy-2-Fluoro-B- D-Cellotrioside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca400

b:37.5
occ:1.00
 O A:HOH622 2.3 25.9 1.0
O A:HOH791 2.3 41.2 1.0
O A:HOH813 2.5 45.0 1.0
O A:HOH703 2.5 32.4 1.0
O A:HOH738 2.5 35.4 1.0
O A:HOH787 2.6 41.3 1.0
O A:HOH799 4.3 42.9 1.0
OE2 A:GLU47 4.3 32.9 1.0
O A:HOH851 4.6 46.9 1.0
OE1 A:GLU47 4.6 28.4 1.0
O A:HOH542 4.7 19.7 1.0
CD A:GLU47 4.9 29.8 1.0

Calcium binding site 2 out of 5 in 1qi2

Go back to Calcium Binding Sites List in 1qi2
Calcium binding site 2 out of 5 in the Endoglucanase CEL5A From Bacillus Agaradhaerens in the Tetragonal Crystal Form in Complex with 2',4'-Dinitrophenyl 2-Deoxy-2-Fluoro-B- D-Cellotrioside


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Endoglucanase CEL5A From Bacillus Agaradhaerens in the Tetragonal Crystal Form in Complex with 2',4'-Dinitrophenyl 2-Deoxy-2-Fluoro-B- D-Cellotrioside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca401

b:28.4
occ:1.00
 OE1 A:GLU157 2.2 22.0 1.0
O A:HOH708 2.3 33.3 1.0
O A:HOH758 2.3 36.7 1.0
O A:HOH716 2.5 33.7 1.0
O A:HOH638 2.5 27.6 1.0
O A:HOH741 3.0 35.1 1.0
CD A:GLU157 3.4 18.8 1.0
OE2 A:GLU157 4.2 22.9 1.0
NZ A:LYS112 4.3 18.9 1.0
CG A:GLU157 4.3 23.2 1.0
O A:HOH547 4.3 19.6 1.0
O A:HOH848 4.5 52.6 1.0
CE A:LYS112 4.7 17.9 1.0
O A:HOH841 4.7 51.5 1.0
O A:HOH539 5.0 19.4 1.0

Calcium binding site 3 out of 5 in 1qi2

Go back to Calcium Binding Sites List in 1qi2
Calcium binding site 3 out of 5 in the Endoglucanase CEL5A From Bacillus Agaradhaerens in the Tetragonal Crystal Form in Complex with 2',4'-Dinitrophenyl 2-Deoxy-2-Fluoro-B- D-Cellotrioside


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Endoglucanase CEL5A From Bacillus Agaradhaerens in the Tetragonal Crystal Form in Complex with 2',4'-Dinitrophenyl 2-Deoxy-2-Fluoro-B- D-Cellotrioside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca402

b:24.0
occ:1.00
 O A:GLY127 2.2 22.5 1.0
OD1 A:ASP166 2.3 18.4 1.0
OD1 A:ASN169 2.3 27.0 1.0
O A:HOH606 2.4 24.5 1.0
O A:HOH654 2.4 28.9 1.0
OD1 A:ASN168 2.4 21.1 1.0
CG A:ASP166 3.2 18.1 1.0
CG A:ASN169 3.4 22.1 1.0
C A:GLY127 3.5 21.2 1.0
CG A:ASN168 3.6 20.5 1.0
OD2 A:ASP166 3.6 16.5 1.0
N A:ASN169 4.1 17.5 1.0
ND2 A:ASN169 4.1 25.8 1.0
ND2 A:ASN168 4.1 23.7 1.0
CB A:ASP166 4.3 18.2 1.0
CB A:ASN169 4.3 18.4 1.0
CA A:ASP128 4.3 22.9 1.0
N A:ASP128 4.4 20.7 1.0
OE1 A:GLN11 4.4 21.4 1.0
CA A:GLY127 4.4 19.9 1.0
O A:HOH801 4.4 43.5 1.0
N A:ASN168 4.5 18.7 1.0
CA A:ASP166 4.5 18.9 1.0
NE2 A:GLN11 4.5 22.6 1.0
C A:ASP128 4.6 22.8 1.0
O A:HOH776 4.7 39.4 1.0
CA A:ASN169 4.7 15.5 1.0
O A:TYR129 4.7 20.2 1.0
C A:ASP166 4.8 20.6 1.0
C A:ASN168 4.8 17.7 1.0
CD A:GLN11 4.8 19.5 1.0
CB A:ASN168 4.8 19.4 1.0
CA A:ASN168 4.9 19.5 1.0
CD A:PRO167 4.9 23.4 1.0
N A:TYR129 4.9 19.6 1.0
N A:PRO167 4.9 21.7 1.0

Calcium binding site 4 out of 5 in 1qi2

Go back to Calcium Binding Sites List in 1qi2
Calcium binding site 4 out of 5 in the Endoglucanase CEL5A From Bacillus Agaradhaerens in the Tetragonal Crystal Form in Complex with 2',4'-Dinitrophenyl 2-Deoxy-2-Fluoro-B- D-Cellotrioside


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Endoglucanase CEL5A From Bacillus Agaradhaerens in the Tetragonal Crystal Form in Complex with 2',4'-Dinitrophenyl 2-Deoxy-2-Fluoro-B- D-Cellotrioside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca403

b:29.8
occ:1.00
 OE2 A:GLU124 2.2 17.3 1.0
O A:HOH659 2.2 34.2 1.0
OD2 A:ASP120 2.4 23.3 1.0
OD1 A:ASP120 2.5 19.2 1.0
CG A:ASP120 2.8 18.0 1.0
CD A:GLU124 3.4 18.2 1.0
O A:HOH780 3.8 40.6 1.0
CG A:GLU124 4.2 19.7 1.0
O A:HOH576 4.2 22.2 0.3
O A:HOH592 4.3 23.9 1.0
CB A:ASP120 4.3 16.8 1.0
OE1 A:GLU124 4.4 23.3 1.0
OD1 A:ASN165 4.6 27.0 1.0
ND2 A:ASN165 4.7 22.5 1.0
ND2 A:ASN164 4.9 29.8 1.0

Calcium binding site 5 out of 5 in 1qi2

Go back to Calcium Binding Sites List in 1qi2
Calcium binding site 5 out of 5 in the Endoglucanase CEL5A From Bacillus Agaradhaerens in the Tetragonal Crystal Form in Complex with 2',4'-Dinitrophenyl 2-Deoxy-2-Fluoro-B- D-Cellotrioside


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Endoglucanase CEL5A From Bacillus Agaradhaerens in the Tetragonal Crystal Form in Complex with 2',4'-Dinitrophenyl 2-Deoxy-2-Fluoro-B- D-Cellotrioside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca404

b:37.3
occ:1.00
 O A:HOH507 2.2 13.2 0.5
O A:HOH637 2.5 27.0 1.0
O A:HOH768 2.5 37.2 1.0
OD1 A:ASN256 2.7 25.7 1.0
O A:HOH634 3.4 27.4 1.0
CG A:ASN256 3.7 23.4 1.0
ND2 A:ASN256 4.3 18.4 1.0
OE1 A:GLN28 4.4 18.6 1.0
O A:HOH552 4.7 22.0 0.5
CB A:ASN256 4.8 18.6 1.0
OE1 A:GLN26 4.9 21.6 1.0

Reference:

A.Varrot, M.Schulein, G.J.Davies. Insights Into Ligand-Induced Conformational Change in CEL5A From Bacillus Agaradhaerens Revealed By A Catalytically Active Crystal Form. J.Mol.Biol. V. 297 819 2000.
ISSN: ISSN 0022-2836
PubMed: 10731432
DOI: 10.1006/JMBI.2000.3567
Page generated: Thu Jul 11 21:46:23 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