Atomistry » Calcium » PDB 1o3d-1odb » 1ocn
Atomistry »
  Calcium »
    PDB 1o3d-1odb »
      1ocn »

Calcium in PDB 1ocn: Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with A Cellobio-Derived Isofagomine at 1.3 Angstrom Resolution

Enzymatic activity of Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with A Cellobio-Derived Isofagomine at 1.3 Angstrom Resolution

All present enzymatic activity of Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with A Cellobio-Derived Isofagomine at 1.3 Angstrom Resolution:
3.2.1.91;

Protein crystallography data

The structure of Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with A Cellobio-Derived Isofagomine at 1.3 Angstrom Resolution, PDB code: 1ocn was solved by A.Varrot, J.Macdonald, R.V.Stick, G.Pell, H.J.Gilbert, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 1.31
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.357, 69.842, 51.950, 90.00, 113.52, 90.00
R / Rfree (%) 13 / 16.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with A Cellobio-Derived Isofagomine at 1.3 Angstrom Resolution (pdb code 1ocn). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with A Cellobio-Derived Isofagomine at 1.3 Angstrom Resolution, PDB code: 1ocn:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1ocn

Go back to Calcium Binding Sites List in 1ocn
Calcium binding site 1 out of 2 in the Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with A Cellobio-Derived Isofagomine at 1.3 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with A Cellobio-Derived Isofagomine at 1.3 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca456

b:17.1
occ:1.00
 O A:HOH2421 2.4 20.8 1.0
O A:HOH2255 2.4 27.6 1.0
O A:HOH2420 2.4 15.3 1.0
O A:HOH2429 2.5 17.6 1.0
O A:HOH2006 2.5 29.9 1.0
O A:HOH2434 3.8 20.6 1.0
O A:HOH2431 4.1 27.0 1.0
O A:ALA385 4.2 15.4 1.0
O A:HOH2432 4.5 25.6 1.0
OG1 A:THR387 4.5 14.4 1.0
O A:HOH2009 4.5 34.1 1.0
ND2 A:ASN92 4.6 14.1 1.0
O A:VAL392 4.6 12.4 1.0
O A:HIS389 4.7 16.0 1.0

Calcium binding site 2 out of 2 in 1ocn

Go back to Calcium Binding Sites List in 1ocn
Calcium binding site 2 out of 2 in the Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with A Cellobio-Derived Isofagomine at 1.3 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Mutant D416A of the Cellobiohydrolase CEL6A From Humicola Insolens in Complex with A Cellobio-Derived Isofagomine at 1.3 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca457

b:35.6
occ:1.00
 OD1 A:ASN447 2.1 20.7 1.0
O A:HOH2508 2.3 39.3 1.0
O A:HOH2299 2.4 37.7 1.0
O A:HOH2509 2.5 30.9 1.0
CG A:ASN447 2.9 20.6 1.0
ND2 A:ASN447 3.0 25.8 1.0
O A:HOH2507 3.1 40.6 1.0
O A:HOH2234 4.3 32.1 1.0
CB A:ASN447 4.4 16.1 1.0
O A:HOH2298 4.5 38.3 1.0
CA A:PRO448 4.7 13.9 1.0
CA A:ASN447 4.8 14.3 1.0
N A:PRO448 4.8 13.5 1.0
C A:ASN447 4.9 13.2 1.0

Reference:

A.Varrot, J.Macdonald, R.V.Stick, G.Pell, H.J.Gilbert, G.J.Davies. Distortion of A Cellobio-Derived Isofagomine Highlights the Potential Conformational Itinerary of Inverting Beta-Glucosidases Chem.Commun.(Camb.) V. 21 946 2003.
ISSN: ISSN 1359-7345
PubMed: 12744312
DOI: 10.1039/B301592K
Page generated: Thu Jul 11 13:18:18 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