Calcium in PDB 3wq7: New Crystal Form of the Hyperthermophilic Family 12 Endo-Cellulase From Pyrococcus Furiosus

Enzymatic activity of New Crystal Form of the Hyperthermophilic Family 12 Endo-Cellulase From Pyrococcus Furiosus

All present enzymatic activity of New Crystal Form of the Hyperthermophilic Family 12 Endo-Cellulase From Pyrococcus Furiosus:
3.2.1.4;

Protein crystallography data

The structure of New Crystal Form of the Hyperthermophilic Family 12 Endo-Cellulase From Pyrococcus Furiosus, PDB code: 3wq7 was solved by M.Kataoka, K.Ishikawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.01 / 1.68
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 134.729, 62.568, 86.284, 90.00, 95.08, 90.00
R / Rfree (%) 18.1 / 21.7

Calcium Binding Sites:

The binding sites of Calcium atom in the New Crystal Form of the Hyperthermophilic Family 12 Endo-Cellulase From Pyrococcus Furiosus (pdb code 3wq7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the New Crystal Form of the Hyperthermophilic Family 12 Endo-Cellulase From Pyrococcus Furiosus, PDB code: 3wq7:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 3wq7

Go back to Calcium Binding Sites List in 3wq7
Calcium binding site 1 out of 4 in the New Crystal Form of the Hyperthermophilic Family 12 Endo-Cellulase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of New Crystal Form of the Hyperthermophilic Family 12 Endo-Cellulase From Pyrococcus Furiosus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca501

b:35.7
occ:0.65
 O A:ASN74 2.0 25.0 1.0
OE2 A:GLU76 2.2 33.9 1.0
OD1 A:ASP70 2.2 52.2 1.0
OD1 A:ASP68 2.6 38.8 1.0
OD1 A:ASP72 2.6 50.8 1.0
OD2 A:ASP142 2.7 36.8 1.0
CG A:ASP72 3.1 57.7 1.0
C A:ASN74 3.2 26.5 1.0
OD2 A:ASP72 3.3 51.0 1.0
CG A:ASP70 3.4 61.4 1.0
CD A:GLU76 3.4 28.7 1.0
CG A:ASP68 3.7 39.2 1.0
CG A:ASP142 3.7 27.4 1.0
OD2 A:ASP70 3.8 60.9 1.0
CB A:ASP142 3.9 18.8 1.0
CA A:ASN74 4.1 32.7 1.0
N A:PRO75 4.1 24.3 1.0
N A:ASN74 4.1 32.2 1.0
OE1 A:GLU76 4.1 28.2 1.0
CA A:PRO75 4.1 21.2 1.0
N A:ASP72 4.2 61.7 1.0
C A:PRO75 4.2 20.6 1.0
CA A:ASP68 4.3 27.2 1.0
CB A:ASN74 4.3 33.5 1.0
N A:GLU76 4.4 18.3 1.0
CB A:ASP72 4.4 52.2 1.0
N A:ASP70 4.4 51.7 1.0
OD2 A:ASP68 4.4 51.0 1.0
CG A:GLU76 4.5 24.9 1.0
CB A:ASP68 4.5 32.0 1.0
C A:ASP68 4.5 38.7 1.0
N A:LYS69 4.6 40.5 1.0
CA A:ASP72 4.7 51.6 1.0
CB A:ASP70 4.7 58.8 1.0
N A:GLY71 4.8 62.5 1.0
OD1 A:ASP142 4.8 30.1 1.0
O A:PRO75 4.9 19.8 1.0
CA A:ASP70 4.9 62.9 1.0
C A:ASP70 4.9 66.5 1.0
N A:GLY73 4.9 49.1 1.0
O A:HOH851 4.9 48.8 1.0

Calcium binding site 2 out of 4 in 3wq7

Go back to Calcium Binding Sites List in 3wq7
Calcium binding site 2 out of 4 in the New Crystal Form of the Hyperthermophilic Family 12 Endo-Cellulase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of New Crystal Form of the Hyperthermophilic Family 12 Endo-Cellulase From Pyrococcus Furiosus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca502

b:23.6
occ:0.59
 O A:HOH656 2.7 25.2 1.0
O A:LYS168 2.8 15.8 1.0
N A:HIS300 2.9 12.6 1.0
O A:HOH601 2.9 31.8 1.0
O A:SER298 3.5 15.2 1.0
O A:HIS300 3.5 14.0 1.0
CA A:ALA299 3.5 10.9 1.0
C A:ALA299 3.7 10.6 1.0
CB A:LEU171 3.7 13.6 1.0
CA A:HIS300 3.7 11.5 1.0
CB A:HIS300 3.8 14.2 1.0
C A:LYS168 3.8 16.8 1.0
C A:SER298 4.0 13.6 1.0
N A:ALA299 4.0 12.4 1.0
CB A:ASN169 4.1 25.6 1.0
C A:HIS300 4.1 13.3 1.0
ND2 A:ASN169 4.2 32.0 1.0
CG A:HIS300 4.2 15.5 1.0
CG A:LEU171 4.4 12.9 1.0
CD1 A:LEU171 4.4 14.7 1.0
CD2 A:LEU171 4.5 13.7 1.0
CB A:LYS168 4.5 18.2 1.0
OG A:SER298 4.5 16.8 1.0
CA A:LEU171 4.5 13.7 1.0
CD2 A:HIS300 4.5 15.7 1.0
O A:HOH759 4.5 43.0 1.0
CA A:LYS168 4.6 15.8 1.0
N A:LEU171 4.6 15.7 1.0
CG A:ASN169 4.6 33.2 1.0
N A:ASN169 4.7 19.9 1.0
CA A:ASN169 4.7 22.1 1.0
N A:LYS168 4.7 12.9 1.0
CB A:ALA299 4.9 10.7 1.0
O A:ASN169 4.9 24.1 1.0
C A:ASN169 4.9 21.2 1.0
O A:ALA299 4.9 12.2 1.0
CB A:SER298 5.0 14.2 1.0

Calcium binding site 3 out of 4 in 3wq7

Go back to Calcium Binding Sites List in 3wq7
Calcium binding site 3 out of 4 in the New Crystal Form of the Hyperthermophilic Family 12 Endo-Cellulase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of New Crystal Form of the Hyperthermophilic Family 12 Endo-Cellulase From Pyrococcus Furiosus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca501

b:64.0
occ:0.90
 O B:ASN74 2.5 37.6 1.0
OD2 B:ASP72 2.5 65.7 1.0
OD2 B:ASP70 2.8 82.3 1.0
OE1 B:GLU76 2.8 37.0 0.5
OD2 B:ASP142 3.2 44.5 1.0
C B:ASN74 3.4 37.6 1.0
CG B:ASP72 3.5 60.7 1.0
OD1 B:ASP68 3.7 56.6 1.0
CA B:ASP68 3.8 39.8 1.0
OD1 B:ASP72 3.8 63.5 1.0
N B:GLU76 3.8 26.2 0.5
CG B:ASP70 3.9 83.6 1.0
N B:GLU76 3.9 28.0 0.5
CA B:PRO75 3.9 37.2 1.0
CD B:GLU76 4.0 35.3 0.5
N B:PRO75 4.1 41.5 1.0
C B:PRO75 4.1 34.1 1.0
C B:ASP68 4.1 41.1 1.0
CG B:ASP142 4.1 44.4 1.0
N B:LYS69 4.2 47.0 1.0
CG B:ASP68 4.2 56.6 1.0
N B:ASP70 4.3 70.3 1.0
CB B:ASP142 4.4 42.1 1.0
OD1 B:ASP70 4.4 90.0 1.0
N B:ASN74 4.4 40.4 1.0
CA B:ASN74 4.5 39.4 1.0
O B:ILE67 4.5 31.3 1.0
N B:ASP72 4.6 65.9 1.0
CB B:ASP68 4.6 47.7 1.0
CB B:ASP72 4.7 64.3 1.0
OE2 B:GLU76 4.7 37.5 0.5
N B:GLY73 4.8 51.2 1.0
N B:GLY71 4.8 67.0 1.0
O B:ASP68 4.8 51.4 1.0
CB B:GLU76 4.9 32.9 0.5
CA B:GLU76 4.9 31.9 0.5
CA B:GLU76 4.9 29.3 0.5
CB B:ASP70 4.9 78.9 1.0
N B:ASP68 4.9 33.4 1.0
CG B:GLU76 4.9 34.6 0.5
O B:PRO75 5.0 33.7 1.0

Calcium binding site 4 out of 4 in 3wq7

Go back to Calcium Binding Sites List in 3wq7
Calcium binding site 4 out of 4 in the New Crystal Form of the Hyperthermophilic Family 12 Endo-Cellulase From Pyrococcus Furiosus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of New Crystal Form of the Hyperthermophilic Family 12 Endo-Cellulase From Pyrococcus Furiosus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca502

b:26.5
occ:0.56
 O B:HOH602 2.6 11.7 1.0
O B:SER298 2.7 14.9 1.0
C3 A:GOL516 3.2 29.4 1.0
CA B:LEU171 3.4 15.7 1.0
CB B:LEU171 3.6 12.1 1.0
CD1 B:LEU171 3.6 14.4 1.0
N B:LEU171 3.7 14.4 1.0
C1 A:GOL516 3.7 29.1 1.0
O B:ASN169 3.8 17.4 1.0
C B:SER298 3.9 11.5 1.0
C2 A:GOL516 4.0 20.7 1.0
CG2 B:THR296 4.1 17.7 1.0
O B:HOH610 4.2 16.5 1.0
O A:HOH679 4.2 35.4 1.0
O B:LYS168 4.2 13.1 1.0
O3 A:GOL516 4.2 29.7 1.0
C B:GLY170 4.3 18.2 1.0
CG B:LEU171 4.3 14.0 1.0
C B:ASN169 4.5 14.8 1.0
CA B:ALA299 4.5 10.9 1.0
O2 A:GOL516 4.5 15.4 1.0
O B:HOH612 4.5 28.2 1.0
O B:GLY170 4.6 18.8 1.0
CB B:ASN169 4.6 13.9 1.0
N B:ALA299 4.6 11.4 1.0
CD B:PRO172 4.7 18.7 1.0
O A:HOH683 4.8 23.9 1.0
C B:LEU171 4.8 15.5 1.0
CA B:SER298 4.9 11.8 1.0
CB B:SER298 5.0 12.0 1.0
N B:HIS300 5.0 10.6 1.0

Reference:

M.Kataoka, K.Ishikawa. A New Crystal Form of A Hyperthermophilic Endocellulase Acta Crystallogr.,Sect.F V. 70 878.
ISSN: ISSN 1744-3091
DOI: 10.1107/S2053230X14010930
Page generated: Sat Dec 12 04:35:59 2020

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