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Calcium in PDB 1qhz: Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens

Enzymatic activity of Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens

All present enzymatic activity of Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens:
3.2.1.4;

Protein crystallography data

The structure of Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens, PDB code: 1qhz 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) 15.00 / 1.95
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 (%) 17.2 / 20.6

Calcium Binding Sites:

The binding sites of Calcium atom in the Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens (pdb code 1qhz). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens, PDB code: 1qhz:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 1qhz

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Calcium binding site 1 out of 6 in the Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca400

b:37.4
occ:1.00
 O A:HOH587 2.4 36.7 1.0
O A:HOH548 2.5 31.4 1.0
O A:HOH577 2.5 34.8 1.0
O A:HOH568 2.5 33.4 1.0
O A:HOH579 2.5 35.8 1.0
O A:HOH726 2.6 54.1 1.0
O A:HOH717 2.7 53.1 1.0
O A:HOH634 4.3 40.3 1.0
OE2 A:GLU47 4.5 34.8 1.0
OE1 A:GLU47 4.7 31.4 1.0
O A:HOH437 4.8 19.8 1.0

Calcium binding site 2 out of 6 in 1qhz

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Calcium binding site 2 out of 6 in the Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca401

b:38.9
occ:1.00
 O A:HOH531 2.1 30.3 1.0
OE1 A:GLU157 2.1 23.0 1.0
O A:HOH640 2.2 41.2 1.0
O A:HOH686 2.4 49.0 1.0
O A:HOH681 2.4 48.3 1.0
CD A:GLU157 3.2 22.6 1.0
OE2 A:GLU157 4.0 23.9 1.0
CG A:GLU157 4.1 25.3 1.0
O A:HOH459 4.1 23.1 1.0
NZ A:LYS112 4.3 19.6 1.0
O A:HOH618 4.5 39.5 0.5
CE A:LYS112 4.6 19.5 1.0
CB A:GLU157 4.9 22.3 1.0
O A:HOH452 5.0 21.1 1.0

Calcium binding site 3 out of 6 in 1qhz

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Calcium binding site 3 out of 6 in the Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca402

b:24.0
occ:1.00
 O A:GLY127 2.3 23.7 1.0
OD1 A:ASN168 2.3 21.1 1.0
OD1 A:ASP166 2.3 20.4 1.0
O A:HOH557 2.4 32.2 1.0
OD1 A:ASN169 2.4 24.5 1.0
O A:HOH512 2.4 27.7 1.0
CG A:ASP166 3.1 21.1 1.0
CG A:ASN169 3.3 23.1 1.0
CG A:ASN168 3.4 21.3 1.0
OD2 A:ASP166 3.5 18.8 1.0
C A:GLY127 3.5 24.0 1.0
N A:ASN169 3.9 19.6 1.0
ND2 A:ASN169 4.0 22.2 1.0
ND2 A:ASN168 4.0 24.6 1.0
CB A:ASP166 4.2 21.5 1.0
CB A:ASN169 4.3 20.0 1.0
CA A:ASP128 4.3 25.1 1.0
NE2 A:GLN11 4.3 20.1 1.0
N A:ASP128 4.4 24.4 1.0
O A:HOH649 4.4 42.8 1.0
OE1 A:GLN11 4.4 21.5 1.0
CA A:GLY127 4.4 24.8 1.0
CA A:ASP166 4.4 22.2 1.0
N A:ASN168 4.4 21.4 1.0
C A:ASP128 4.6 24.8 1.0
CA A:ASN169 4.6 17.5 1.0
C A:ASN168 4.7 19.5 1.0
CB A:ASN168 4.7 19.3 1.0
O A:HOH603 4.7 37.6 1.0
C A:ASP166 4.8 23.7 1.0
CD A:GLN11 4.8 21.2 1.0
CD A:PRO167 4.8 26.0 1.0
CA A:ASN168 4.8 21.4 1.0
O A:TYR129 4.9 20.4 1.0
N A:PRO167 4.9 24.4 1.0
N A:TYR129 5.0 21.9 1.0

Calcium binding site 4 out of 6 in 1qhz

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Calcium binding site 4 out of 6 in the Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca403

b:29.3
occ:1.00
 O A:HOH454 1.9 22.2 1.0
OE2 A:GLU124 2.1 21.1 1.0
OD2 A:ASP120 2.2 27.5 1.0
OD1 A:ASP120 2.6 20.2 1.0
CG A:ASP120 2.7 20.7 1.0
CD A:GLU124 3.3 23.7 1.0
O A:HOH613 3.8 39.2 1.0
CG A:GLU124 4.1 23.4 1.0
CB A:ASP120 4.2 18.6 1.0
OE1 A:GLU124 4.3 24.9 1.0
O A:HOH461 4.4 23.2 1.0
OD1 A:ASN165 4.7 24.7 1.0
ND2 A:ASN165 4.8 20.8 1.0

Calcium binding site 5 out of 6 in 1qhz

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Calcium binding site 5 out of 6 in the Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca404

b:34.1
occ:1.00
 OE2 A:GLU228 2.3 23.0 1.0
OE2 A:GLU139 2.4 15.7 1.0
O A:HOH566 2.4 33.6 1.0
O A:HOH416 2.6 15.7 0.5
O A:HOH436 2.6 19.6 1.0
O A:HOH584 2.7 36.3 1.0
O A:HOH626 2.9 40.2 1.0
CD A:GLU139 3.0 15.7 1.0
OE1 A:GLU139 3.0 17.9 1.0
O A:HOH496 3.3 26.0 0.5
CD A:GLU228 3.4 20.0 1.0
OE1 A:GLU228 4.1 18.8 1.0
O A:HOH560 4.4 32.5 1.0
CG A:GLU139 4.4 12.8 1.0
ND1 A:HIS200 4.5 13.7 1.0
CG A:GLU228 4.5 18.4 1.0
OH A:TYR202 4.8 49.4 1.0

Calcium binding site 6 out of 6 in 1qhz

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Calcium binding site 6 out of 6 in the Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Native Tetragonal Structure of the Endoglucanase CEL5A From Bacillus Agaradhaerens within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca405

b:45.6
occ:1.00
 O A:HOH552 2.2 31.8 1.0
O A:HOH648 2.4 42.6 1.0
O A:HOH597 2.6 36.9 1.0
OD1 A:ASN256 2.6 27.5 1.0
O A:HOH567 2.6 33.2 1.0
O A:HOH589 3.5 36.5 1.0
CG A:ASN256 3.7 26.4 1.0
OE1 A:GLN28 4.2 20.5 1.0
ND2 A:ASN256 4.3 24.4 1.0
CB A:ASN256 4.8 21.6 1.0
O A:HOH646 4.8 42.4 1.0
CB A:GLN28 5.0 20.9 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 21:45:47 2024

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