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Calcium in PDB 3h0o: The Importance of Ch-Pi Stacking Interactions Between Carbohydrate and Aromatic Residues in Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D-Glucanase

Enzymatic activity of The Importance of Ch-Pi Stacking Interactions Between Carbohydrate and Aromatic Residues in Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D-Glucanase

All present enzymatic activity of The Importance of Ch-Pi Stacking Interactions Between Carbohydrate and Aromatic Residues in Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D-Glucanase:
3.2.1.73;

Protein crystallography data

The structure of The Importance of Ch-Pi Stacking Interactions Between Carbohydrate and Aromatic Residues in Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D-Glucanase, PDB code: 3h0o was solved by L.C.Tsai, C.H.Hsiao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.87 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 60.400, 68.600, 70.700, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 19.9

Calcium Binding Sites:

The binding sites of Calcium atom in the The Importance of Ch-Pi Stacking Interactions Between Carbohydrate and Aromatic Residues in Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D-Glucanase (pdb code 3h0o). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the The Importance of Ch-Pi Stacking Interactions Between Carbohydrate and Aromatic Residues in Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D-Glucanase, PDB code: 3h0o:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 3h0o

Go back to Calcium Binding Sites List in 3h0o
Calcium binding site 1 out of 3 in the The Importance of Ch-Pi Stacking Interactions Between Carbohydrate and Aromatic Residues in Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D-Glucanase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Importance of Ch-Pi Stacking Interactions Between Carbohydrate and Aromatic Residues in Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D-Glucanase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca401

b:12.1
occ:1.00
 O A:GLY222 2.3 14.6 1.0
O A:HOH467 2.4 19.1 1.0
O A:ASN164 2.4 11.4 1.0
O A:ASN189 2.4 11.7 1.0
OD1 A:ASN164 2.4 14.2 1.0
O A:HOH479 2.4 17.7 1.0
O A:HOH466 2.4 16.0 1.0
C A:GLY222 3.4 15.4 1.0
C A:ASN164 3.4 10.3 1.0
C A:ASN189 3.5 10.3 1.0
CG A:ASN164 3.5 14.9 1.0
CA A:ASN164 3.9 10.3 1.0
CA A:GLY222 4.0 15.3 1.0
CA A:ASN189 4.2 10.4 1.0
CB A:ASN189 4.3 13.4 1.0
CB A:ASN164 4.4 12.2 1.0
O A:HOH674 4.4 29.3 1.0
O A:HOH570 4.5 28.4 1.0
ND2 A:ASN164 4.5 17.4 1.0
N A:MET223 4.5 13.7 1.0
N A:TRP165 4.6 9.4 1.0
N A:PHE190 4.6 10.5 1.0
O A:HOH423 4.7 29.6 1.0
CB A:PHE190 4.7 12.0 1.0
O A:HOH422 4.7 29.4 1.0
OD1 A:ASN189 4.8 18.0 1.0
CB A:TRP165 4.8 11.2 1.0
CG A:MET223 4.8 18.1 1.0
CA A:MET223 4.8 14.7 1.0
C A:PHE190 4.9 12.3 1.0
OD2 A:ASP191 4.9 16.2 1.0
CA A:PHE190 4.9 11.0 1.0
CA A:TRP165 5.0 9.4 1.0

Calcium binding site 2 out of 3 in 3h0o

Go back to Calcium Binding Sites List in 3h0o
Calcium binding site 2 out of 3 in the The Importance of Ch-Pi Stacking Interactions Between Carbohydrate and Aromatic Residues in Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D-Glucanase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Importance of Ch-Pi Stacking Interactions Between Carbohydrate and Aromatic Residues in Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D-Glucanase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca402

b:12.8
occ:1.00
 O A:PHE152 2.3 13.9 1.0
O A:HOH482 2.4 17.4 1.0
OE1 A:GLU154 2.4 13.8 1.0
O A:HOH612 2.5 16.7 1.0
OE2 A:GLU154 2.5 13.2 1.0
CD A:GLU154 2.8 13.6 1.0
C A:PHE152 3.5 13.4 1.0
CA A:PHE152 4.3 13.3 1.0
CB A:PHE152 4.3 12.7 1.0
O A:HOH481 4.3 16.1 1.0
CG A:GLU154 4.4 12.0 1.0
O A:HOH585 4.4 26.2 1.0
N A:PHE152 4.4 12.8 1.0
N A:ASP153 4.5 12.7 1.0
O A:HOH521 4.6 22.4 1.0
N A:GLU154 4.6 12.8 1.0
O A:HOH470 4.6 14.9 1.0
NE2 A:GLN151 4.7 23.2 1.0
CA A:ASP153 4.7 13.5 1.0
O A:HOH641 4.7 25.9 1.0
CG A:PHE152 5.0 12.7 1.0

Calcium binding site 3 out of 3 in 3h0o

Go back to Calcium Binding Sites List in 3h0o
Calcium binding site 3 out of 3 in the The Importance of Ch-Pi Stacking Interactions Between Carbohydrate and Aromatic Residues in Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D-Glucanase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Importance of Ch-Pi Stacking Interactions Between Carbohydrate and Aromatic Residues in Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D-Glucanase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca403

b:15.0
occ:0.50
 O A:HOH672 2.2 28.8 1.0
O A:LYS200 2.3 13.7 1.0
O A:HOH669 2.3 28.4 1.0
OD1 A:ASP202 2.3 22.2 1.0
O A:HOH420 2.4 27.1 1.0
O A:HOH617 2.9 25.5 1.0
C A:LYS200 3.5 13.8 1.0
CG A:ASP202 3.5 20.7 1.0
CB A:ASP202 4.1 16.8 1.0
N A:ASP202 4.1 15.0 1.0
C A:GLY201 4.3 14.0 1.0
CA A:GLY201 4.4 14.6 1.0
N A:GLY201 4.4 13.0 1.0
CA A:LYS200 4.4 12.3 1.0
N A:LYS200 4.4 11.5 1.0
CB A:LYS200 4.5 13.3 1.0
O A:HOH418 4.5 29.6 1.0
OD2 A:ASP202 4.6 21.6 1.0
OD2 A:ASP214 4.6 23.5 1.0
OH A:TYR13 4.7 15.1 1.0
CA A:ASP202 4.8 15.0 1.0
O A:HOH419 4.8 29.5 1.0
CB A:ASP214 4.9 17.0 1.0
O A:GLY201 4.9 14.5 1.0
O A:HOH640 5.0 30.2 1.0

Reference:

L.C.Tsai, C.H.Hsiao, H.C.Huang. The Importance of Ch-Pi Stacking Interactions Between Carbohydrate and Aromatic Residues in Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D-Glucanase To Be Published.
Page generated: Sat Jul 13 10:51:36 2024

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