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Calcium in PDB 5wsl: Structural Studies of Keratinase From Meiothermus Taiwanensis Wr-220

Protein crystallography data

The structure of Structural Studies of Keratinase From Meiothermus Taiwanensis Wr-220, PDB code: 5wsl was solved by M.C.Ho, S.H.Wu, M.Y.Chen, I.F.Tu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.23 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 59.210, 67.088, 92.857, 90.00, 96.07, 90.00
R / Rfree (%) 14.5 / 17.5

Calcium Binding Sites:

The binding sites of Calcium atom in the Structural Studies of Keratinase From Meiothermus Taiwanensis Wr-220 (pdb code 5wsl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Structural Studies of Keratinase From Meiothermus Taiwanensis Wr-220, PDB code: 5wsl:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in 5wsl

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Calcium binding site 1 out of 6 in the Structural Studies of Keratinase From Meiothermus Taiwanensis Wr-220


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structural Studies of Keratinase From Meiothermus Taiwanensis Wr-220 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca301

b:11.1
occ:1.00
 OE1 A:GLN15 2.3 12.0 1.0
OD1 A:ASP11 2.3 11.4 1.0
O A:THR23 2.3 11.7 1.0
OD1 A:ASP14 2.4 13.0 1.0
O A:ASP11 2.5 10.9 1.0
O A:HOH517 2.5 13.3 1.0
OG A:SER21 2.5 13.7 1.0
CD A:GLN15 3.3 11.1 1.0
C A:ASP11 3.3 9.9 1.0
CG A:ASP14 3.4 11.8 1.0
CG A:ASP11 3.5 11.2 1.0
C A:THR23 3.6 12.7 1.0
CA A:ASP11 3.6 10.1 1.0
CB A:SER21 3.6 14.2 1.0
OD2 A:ASP14 3.6 13.0 1.0
CG A:GLN15 3.9 11.3 1.0
OG1 A:THR23 4.1 14.3 1.0
N A:SER21 4.1 12.8 1.0
CB A:ASP11 4.1 10.0 1.0
N A:THR23 4.1 12.9 1.0
O A:HOH422 4.2 17.0 1.0
CB A:GLN15 4.4 11.0 1.0
CA A:THR23 4.4 13.8 1.0
CA A:SER21 4.4 14.3 1.0
NE2 A:GLN15 4.5 14.6 1.0
N A:ARG12 4.5 8.2 1.0
OD2 A:ASP11 4.6 12.3 1.0
N A:PHE24 4.6 12.1 1.0
CB A:ASP14 4.7 10.6 1.0
O A:HOH439 4.8 15.3 1.0
O A:HOH570 4.8 31.9 1.0
CA A:PHE24 4.8 11.1 1.0
CB A:THR23 4.8 13.3 1.0
N A:GLY22 4.9 14.3 1.0
N A:GLN15 4.9 10.2 1.0
O A:LEU10 4.9 8.5 1.0
C A:SER21 4.9 14.3 1.0
C A:ASP14 5.0 11.2 1.0
N A:ASP11 5.0 9.6 1.0

Calcium binding site 2 out of 6 in 5wsl

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Calcium binding site 2 out of 6 in the Structural Studies of Keratinase From Meiothermus Taiwanensis Wr-220


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structural Studies of Keratinase From Meiothermus Taiwanensis Wr-220 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca302

b:25.7
occ:1.00
 O A:HOH475 2.4 17.9 1.0
O A:VAL172 2.5 10.8 1.0
O A:GLY175 2.5 17.0 1.0
OG1 A:THR177 2.5 9.7 1.0
O A:HOH401 2.6 10.9 1.0
OD2 A:ASP198 3.3 11.5 1.0
O A:THR173 3.4 13.0 1.0
C A:GLY175 3.4 11.4 1.0
CB A:THR177 3.5 9.1 1.0
C A:VAL172 3.5 10.3 1.0
N A:THR177 3.7 8.0 1.0
C A:THR173 3.7 11.7 1.0
CA A:THR173 3.7 12.1 1.0
O A:CYS196 3.8 12.5 1.0
O A:ALA170 3.9 10.6 1.0
N A:GLY175 3.9 9.6 1.0
CA A:GLY175 4.0 11.8 1.0
N A:THR173 4.1 10.5 1.0
CA A:THR177 4.1 8.3 1.0
N A:ILE176 4.3 9.2 1.0
C A:ILE176 4.4 8.4 1.0
CG A:ASP198 4.5 11.5 1.0
CA A:ILE176 4.5 9.0 1.0
N A:ALA174 4.6 10.8 1.0
CA A:VAL172 4.7 10.1 1.0
N A:VAL172 4.7 9.6 1.0
CD1 A:LEU155 4.7 8.2 1.0
CG2 A:THR177 4.7 8.9 1.0
C A:ALA174 4.8 10.9 1.0
C A:CYS196 4.9 12.4 1.0
C A:ALA170 5.0 9.7 1.0
OD1 A:ASP198 5.0 14.4 1.0

Calcium binding site 3 out of 6 in 5wsl

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Calcium binding site 3 out of 6 in the Structural Studies of Keratinase From Meiothermus Taiwanensis Wr-220


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structural Studies of Keratinase From Meiothermus Taiwanensis Wr-220 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca301

b:9.3
occ:1.00
 OE1 B:GLN15 2.3 11.2 1.0
OD1 B:ASP11 2.4 10.0 1.0
O B:ASP11 2.4 8.7 1.0
OD1 B:ASP14 2.4 10.2 1.0
O B:THR23 2.4 9.8 1.0
O B:HOH542 2.5 13.8 1.0
OG B:SER21 2.6 12.3 1.0
C B:ASP11 3.3 9.8 1.0
CG B:ASP14 3.4 10.7 1.0
CD B:GLN15 3.4 10.1 1.0
CG B:ASP11 3.5 11.1 1.0
C B:THR23 3.6 10.0 1.0
CA B:ASP11 3.6 9.4 1.0
OD2 B:ASP14 3.6 12.1 1.0
CB B:SER21 3.6 12.5 1.0
CG B:GLN15 3.8 10.2 1.0
OG1 B:THR23 4.1 12.8 1.0
CB B:ASP11 4.1 9.4 1.0
N B:THR23 4.2 10.8 1.0
N B:SER21 4.2 12.7 1.0
O B:HOH426 4.3 13.8 1.0
CB B:GLN15 4.3 9.2 1.0
CA B:THR23 4.4 11.3 1.0
CA B:SER21 4.5 12.2 1.0
N B:ARG12 4.5 8.1 1.0
NE2 B:GLN15 4.6 12.1 1.0
OD2 B:ASP11 4.6 12.0 1.0
N B:PHE24 4.6 10.6 1.0
CB B:ASP14 4.7 9.3 1.0
O B:HOH420 4.7 14.2 1.0
O B:HOH597 4.7 31.5 1.0
C B:ASP14 4.8 8.9 1.0
CA B:PHE24 4.8 10.3 1.0
N B:GLY22 4.9 12.7 1.0
N B:GLN15 4.9 8.1 1.0
CB B:THR23 4.9 11.9 1.0
C B:SER21 5.0 12.9 1.0
O B:LEU10 5.0 8.9 1.0
N B:ASP11 5.0 8.9 1.0

Calcium binding site 4 out of 6 in 5wsl

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Calcium binding site 4 out of 6 in the Structural Studies of Keratinase From Meiothermus Taiwanensis Wr-220


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structural Studies of Keratinase From Meiothermus Taiwanensis Wr-220 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca302

b:30.5
occ:1.00
 O B:VAL172 2.5 11.9 1.0
OG1 B:THR177 2.6 8.1 1.0
O B:HOH491 2.6 20.3 1.0
O B:GLY175 2.6 19.1 1.0
O B:HOH402 2.7 12.5 1.0
O B:HOH578 3.2 33.4 1.0
C B:GLY175 3.3 12.2 1.0
O B:THR173 3.4 12.7 1.0
OD2 B:ASP198 3.4 12.5 1.0
CB B:THR177 3.5 7.8 1.0
C B:VAL172 3.5 11.6 1.0
N B:THR177 3.7 7.6 1.0
C B:THR173 3.7 11.6 1.0
N B:GLY175 3.8 11.2 1.0
CA B:THR173 3.8 12.5 1.0
O B:CYS196 3.9 13.8 1.0
O B:ALA170 3.9 10.5 1.0
CA B:GLY175 3.9 12.0 1.0
N B:THR173 4.1 10.9 1.0
N B:ILE176 4.2 8.6 1.0
CA B:THR177 4.2 7.5 1.0
C B:ILE176 4.3 7.5 1.0
CD1 B:LEU155 4.4 8.5 1.0
CA B:ILE176 4.5 7.9 1.0
N B:ALA174 4.5 11.4 1.0
CG B:ASP198 4.6 14.1 1.0
N B:VAL172 4.7 10.7 1.0
CA B:VAL172 4.7 10.8 1.0
C B:ALA174 4.7 12.2 1.0
CG2 B:THR177 4.7 9.4 1.0
O B:HOH470 4.9 29.9 1.0
C B:ALA170 5.0 9.6 1.0

Calcium binding site 5 out of 6 in 5wsl

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Calcium binding site 5 out of 6 in the Structural Studies of Keratinase From Meiothermus Taiwanensis Wr-220


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Structural Studies of Keratinase From Meiothermus Taiwanensis Wr-220 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca301

b:12.1
occ:1.00
 OD1 C:ASP11 2.4 12.4 1.0
OE1 C:GLN15 2.4 12.9 1.0
OD1 C:ASP14 2.4 14.2 1.0
O C:HOH499 2.4 16.7 1.0
O C:THR23 2.4 13.7 1.0
O C:ASP11 2.4 12.4 1.0
OG C:SER21 2.5 16.4 1.0
C C:ASP11 3.4 11.8 1.0
CG C:ASP14 3.4 12.5 1.0
CD C:GLN15 3.4 13.3 1.0
CG C:ASP11 3.5 14.4 1.0
CB C:SER21 3.5 18.4 1.0
C C:THR23 3.6 13.0 1.0
CA C:ASP11 3.6 11.9 1.0
OD2 C:ASP14 3.6 13.7 1.0
CG C:GLN15 3.9 13.3 1.0
OG1 C:THR23 4.0 17.0 1.0
CB C:ASP11 4.2 12.4 1.0
N C:THR23 4.2 15.3 1.0
N C:SER21 4.2 15.9 1.0
O C:HOH421 4.2 18.0 1.0
CA C:THR23 4.3 15.0 1.0
CA C:SER21 4.4 16.8 1.0
CB C:GLN15 4.4 13.0 1.0
N C:ARG12 4.6 11.2 1.0
NE2 C:GLN15 4.6 15.5 1.0
OD2 C:ASP11 4.6 13.9 1.0
N C:PHE24 4.6 13.1 1.0
CB C:ASP14 4.7 11.8 1.0
O C:HOH604 4.8 32.1 1.0
O C:HOH416 4.8 17.2 1.0
CA C:PHE24 4.8 12.5 1.0
CB C:THR23 4.8 16.5 1.0
N C:GLN15 4.9 12.6 1.0
C C:SER21 4.9 16.7 1.0
C C:ASP14 4.9 13.0 1.0
N C:GLY22 4.9 15.7 1.0
O C:LEU10 4.9 10.2 1.0

Calcium binding site 6 out of 6 in 5wsl

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Calcium binding site 6 out of 6 in the Structural Studies of Keratinase From Meiothermus Taiwanensis Wr-220


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Structural Studies of Keratinase From Meiothermus Taiwanensis Wr-220 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca302

b:29.1
occ:1.00
 O C:GLY175 2.3 15.7 1.0
O C:VAL172 2.4 12.8 1.0
O C:HOH402 2.4 17.9 1.0
O C:HOH460 2.5 18.6 1.0
OG1 C:THR177 2.5 11.2 1.0
C C:GLY175 3.4 12.5 1.0
O C:THR173 3.4 14.5 1.0
OD2 C:ASP198 3.4 14.4 1.0
CB C:THR177 3.5 10.7 1.0
C C:VAL172 3.5 12.4 1.0
N C:THR177 3.7 9.7 1.0
C C:THR173 3.7 13.1 1.0
O C:CYS196 3.8 14.3 1.0
CA C:THR173 3.8 14.3 1.0
O C:ALA170 3.8 12.9 1.0
N C:GLY175 4.0 13.3 1.0
N C:THR173 4.1 13.1 1.0
CA C:GLY175 4.1 12.7 1.0
O C:HOH582 4.1 40.2 1.0
CA C:THR177 4.2 10.6 1.0
N C:ILE176 4.3 9.9 1.0
C C:ILE176 4.4 9.2 1.0
O C:HOH509 4.5 35.3 1.0
CA C:ILE176 4.5 9.5 1.0
CD1 C:LEU155 4.5 10.9 1.0
CG C:ASP198 4.6 15.5 1.0
N C:ALA174 4.6 12.5 1.0
N C:VAL172 4.6 11.9 1.0
CA C:VAL172 4.6 11.9 1.0
CG2 C:THR177 4.7 11.4 1.0
C C:ALA174 4.8 13.9 1.0
C C:ALA170 4.9 12.3 1.0
C C:ARG171 5.0 12.6 1.0
C C:CYS196 5.0 14.0 1.0

Reference:

W.L.Wu, M.Y.Chen, I.F.Tu, Y.C.Lin, N.Eswarkumar, M.Y.Chen, M.C.Ho, S.H.Wu. The Discovery of Novel Heat-Stable Keratinases From Meiothermus Taiwanensis Wr-220 and Other Extremophiles Sci Rep V. 7 4658 2017.
ISSN: ESSN 2045-2322
PubMed: 28680127
DOI: 10.1038/S41598-017-04723-4
Page generated: Mon Jul 15 13:27:46 2024

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