Atomistry » Calcium » PDB 6pu5-6q77 » 6q3r
Atomistry »
  Calcium »
    PDB 6pu5-6q77 »
      6q3r »

Calcium in PDB 6q3r: Aspergillus Aculeatus Galactanase

Enzymatic activity of Aspergillus Aculeatus Galactanase

All present enzymatic activity of Aspergillus Aculeatus Galactanase:
3.2.1.89;

Protein crystallography data

The structure of Aspergillus Aculeatus Galactanase, PDB code: 6q3r was solved by S.J.Muderspach, S.Torpenholt, L.Lo Leggio, J.C.N.Poulsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.17 / 2.69
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 200.200, 200.200, 106.830, 90.00, 90.00, 90.00
R / Rfree (%) 14.5 / 21.1

Calcium Binding Sites:

The binding sites of Calcium atom in the Aspergillus Aculeatus Galactanase (pdb code 6q3r). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the Aspergillus Aculeatus Galactanase, PDB code: 6q3r:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in 6q3r

Go back to Calcium Binding Sites List in 6q3r
Calcium binding site 1 out of 7 in the Aspergillus Aculeatus Galactanase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Aspergillus Aculeatus Galactanase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca508

b:51.8
occ:1.00
O A:ASP38 2.2 42.9 1.0
O A:HOH661 2.3 31.7 1.0
OD1 A:ASP38 2.5 54.6 1.0
O A:HOH685 2.6 30.9 1.0
O A:HOH696 2.7 30.6 1.0
C A:ASP38 3.2 40.2 1.0
CA A:ASP38 3.6 41.6 1.0
CG A:ASP38 3.7 50.1 1.0
CB A:ASP38 4.2 45.6 1.0
N A:ALA39 4.4 39.2 1.0
O A:HOH703 4.6 31.4 1.0
OD2 A:ASP38 4.7 48.0 1.0
O A:ALA37 4.8 32.6 1.0
CA A:ALA39 4.8 36.1 1.0
N A:ASP38 4.9 38.7 1.0
N A:GLY40 4.9 32.3 1.0

Calcium binding site 2 out of 7 in 6q3r

Go back to Calcium Binding Sites List in 6q3r
Calcium binding site 2 out of 7 in the Aspergillus Aculeatus Galactanase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Aspergillus Aculeatus Galactanase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca509

b:77.5
occ:1.00
O A:HOH602 2.1 31.8 1.0
OE2 A:GLU64 2.8 39.0 1.0
OE1 A:GLU64 3.5 42.4 1.0
CD A:GLU64 3.5 42.5 1.0
OE2 B:GLU286 3.7 88.7 1.0
OD1 A:ASP17 3.8 58.2 1.0
O A:HOH692 3.9 26.0 1.0
N B:ALA1 4.0 57.5 1.0
O B:HOH508 4.3 32.2 1.0
OXT B:LEU334 4.4 51.2 1.0
O B:GLU333 4.5 53.6 1.0
OD2 A:ASP17 4.5 64.0 1.0
CG A:ASP17 4.6 55.8 1.0
CD B:GLU286 4.6 83.1 1.0
CA B:ALA1 4.6 53.2 1.0
O A:HOH684 4.7 30.1 1.0
OE1 B:GLU286 4.8 86.5 1.0
C B:LEU334 4.8 53.2 1.0

Calcium binding site 3 out of 7 in 6q3r

Go back to Calcium Binding Sites List in 6q3r
Calcium binding site 3 out of 7 in the Aspergillus Aculeatus Galactanase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Aspergillus Aculeatus Galactanase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca510

b:80.5
occ:0.50
OE2 A:GLU329 3.1 66.8 1.0
CD A:GLU329 3.9 59.8 1.0
OE1 A:GLU329 4.1 59.5 1.0
CD2 A:LEU25 5.0 40.5 1.0

Calcium binding site 4 out of 7 in 6q3r

Go back to Calcium Binding Sites List in 6q3r
Calcium binding site 4 out of 7 in the Aspergillus Aculeatus Galactanase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Aspergillus Aculeatus Galactanase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca511

b:72.3
occ:1.00
O A:HOH709 2.7 49.0 1.0
OE1 A:GLU147 3.1 38.0 1.0
CD A:GLU147 3.9 36.3 1.0
OE2 A:GLU147 4.0 38.4 1.0
O A:HOH632 4.2 29.8 1.0

Calcium binding site 5 out of 7 in 6q3r

Go back to Calcium Binding Sites List in 6q3r
Calcium binding site 5 out of 7 in the Aspergillus Aculeatus Galactanase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Aspergillus Aculeatus Galactanase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca408

b:70.8
occ:1.00
O B:HOH504 1.9 46.8 1.0
OD1 B:ASP17 2.9 54.3 1.0
O B:HOH570 2.9 43.6 1.0
O B:HOH565 3.1 45.1 1.0
OD2 B:ASP17 3.3 64.1 1.0
CG B:ASP17 3.5 53.2 1.0
OE2 B:GLU64 3.8 33.1 1.0
OE1 B:GLU64 4.1 43.1 1.0
CD B:GLU64 4.4 39.0 1.0
O B:LEU13 4.7 40.3 1.0
CB B:ASP17 5.0 51.0 1.0

Calcium binding site 6 out of 7 in 6q3r

Go back to Calcium Binding Sites List in 6q3r
Calcium binding site 6 out of 7 in the Aspergillus Aculeatus Galactanase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Aspergillus Aculeatus Galactanase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca409

b:64.7
occ:0.70
OD2 B:ASP102 2.4 60.5 1.0
O B:HOH562 2.4 44.4 1.0
O B:HOH554 2.5 31.1 1.0
CG B:ASP102 3.2 48.6 1.0
OD1 B:ASP102 3.2 51.6 1.0
CB B:ASP102 4.7 44.7 1.0
OG1 B:THR105 4.8 41.4 1.0

Calcium binding site 7 out of 7 in 6q3r

Go back to Calcium Binding Sites List in 6q3r
Calcium binding site 7 out of 7 in the Aspergillus Aculeatus Galactanase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Aspergillus Aculeatus Galactanase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca410

b:36.9
occ:0.50
O B:HOH523 2.8 19.5 1.0
O3 B:GAL402 2.9 41.7 1.0
OE2 B:GLU246 2.9 39.1 1.0
OD2 B:ASP79 3.1 34.9 1.0
NE2 B:HIS81 3.1 35.6 1.0
OD1 B:ASN135 3.2 31.9 1.0
ND2 B:ASN135 3.4 33.4 1.0
O2 B:GAL402 3.4 37.6 1.0
CG B:ASN135 3.5 32.4 1.0
NH1 B:ARG45 3.6 33.1 1.0
CE1 B:HIS81 3.6 34.7 1.0
NH2 B:ARG45 3.8 39.0 1.0
C3 B:GAL402 3.8 44.8 1.0
NE1 B:TRP297 3.9 29.9 1.0
CD B:GLU246 4.0 38.5 1.0
CZ B:ARG45 4.1 36.1 1.0
O B:HOH512 4.2 45.5 1.0
CG B:ASP79 4.3 34.2 1.0
C2 B:GAL402 4.3 43.0 1.0
CD2 B:HIS81 4.4 35.4 1.0
OE1 B:GLU246 4.6 37.2 1.0
CD1 B:TRP297 4.6 29.7 1.0
CE2 B:TRP297 4.6 30.5 1.0
CB B:ASN135 4.7 33.8 1.0
OD1 B:ASP79 4.7 34.8 1.0
OD2 B:ASP8 4.8 31.9 1.0
CB B:ARG47 4.8 30.4 1.0
CZ2 B:TRP297 4.9 30.7 1.0
ND1 B:HIS81 4.9 34.1 1.0
CG B:GLU246 5.0 38.9 1.0

Reference:

S.Torpenholt, J.C.N.Poulsen, S.J.Muderspach, L.De Maria, L.Lo Leggio. Structure of Aspergillus Aculeatus Beta-1,4-Galactanase in Complex with Galactobiose. Acta Crystallogr.,Sect.F V. 75 399 2019.
ISSN: ESSN 2053-230X
PubMed: 31204685
DOI: 10.1107/S2053230X19005612
Page generated: Tue Jul 16 13:15:46 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy