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Calcium in PDB 3kst: Crystal Structure of Endo-1,4-Beta-Xylanase (NP_811807.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution

Protein crystallography data

The structure of Crystal Structure of Endo-1,4-Beta-Xylanase (NP_811807.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution, PDB code: 3kst was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.42 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 60.019, 90.337, 60.037, 90.00, 93.82, 90.00
R / Rfree (%) 14.5 / 17.9

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Endo-1,4-Beta-Xylanase (NP_811807.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution (pdb code 3kst). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Endo-1,4-Beta-Xylanase (NP_811807.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution, PDB code: 3kst:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 3kst

Go back to Calcium Binding Sites List in 3kst
Calcium binding site 1 out of 2 in the Crystal Structure of Endo-1,4-Beta-Xylanase (NP_811807.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Endo-1,4-Beta-Xylanase (NP_811807.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca400

b:9.1
occ:1.00
OE2 A:GLU107 2.3 8.4 1.0
O A:HOH8 2.5 11.4 1.0
O A:HOH398 2.5 9.6 1.0
O A:HOH399 2.6 11.4 1.0
O A:HOH397 2.6 7.0 1.0
O A:HOH389 2.6 7.0 1.0
NE2 A:HIS275 2.6 11.5 1.0
CD2 A:HIS275 3.3 11.0 1.0
CD A:GLU107 3.4 8.8 1.0
CG A:GLU107 3.7 9.0 1.0
CE1 A:HIS275 3.8 13.5 1.0
O A:HOH385 4.2 13.3 1.0
O A:PRO216 4.2 8.6 1.0
O A:THR155 4.3 10.5 1.0
O A:GLY276 4.5 10.2 1.0
OE1 A:GLU107 4.5 8.5 1.0
O A:ALA105 4.6 9.6 1.0
CG A:HIS275 4.6 9.7 1.0
CB A:ALA105 4.7 9.1 1.0
O A:ASP50 4.7 8.4 1.0
ND1 A:HIS275 4.8 7.7 1.0
O A:PRO106 4.8 8.1 1.0
CA A:GLY215 4.9 9.7 1.0
C A:GLY215 4.9 9.7 1.0
C A:ALA105 5.0 9.4 1.0
O A:PRO51 5.0 7.2 1.0

Calcium binding site 2 out of 2 in 3kst

Go back to Calcium Binding Sites List in 3kst
Calcium binding site 2 out of 2 in the Crystal Structure of Endo-1,4-Beta-Xylanase (NP_811807.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Endo-1,4-Beta-Xylanase (NP_811807.1) From Bacteroides Thetaiotaomicron Vpi-5482 at 1.70 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca400

b:9.2
occ:1.00
OE2 B:GLU107 2.4 10.6 1.0
O B:HOH437 2.4 5.9 1.0
O B:HOH2 2.5 8.5 1.0
O B:HOH7 2.5 7.7 1.0
O B:HOH568 2.5 9.3 1.0
O B:HOH20 2.5 6.7 1.0
NE2 B:HIS275 2.6 6.1 1.0
CD2 B:HIS275 3.3 8.0 1.0
CD B:GLU107 3.4 8.5 1.0
CE1 B:HIS275 3.7 8.4 1.0
CG B:GLU107 3.7 9.3 1.0
O B:PRO216 4.3 7.9 1.0
O B:HOH351 4.3 11.1 1.0
O B:THR155 4.3 11.9 1.0
O B:GLY276 4.5 9.7 1.0
OE1 B:GLU107 4.5 9.6 1.0
CG B:HIS275 4.6 7.8 1.0
CB B:ALA105 4.7 7.3 1.0
O B:ALA105 4.7 8.3 1.0
ND1 B:HIS275 4.7 7.5 1.0
CA B:GLY215 4.8 9.0 1.0
O B:PRO106 4.8 8.0 1.0
O B:ASP50 4.9 9.0 1.0
O B:ASP154 4.9 8.3 1.0
O B:PRO51 5.0 9.2 1.0
C B:GLY215 5.0 8.4 1.0

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sat Jul 13 12:41:24 2024

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