Calcium in PDB 2zwo: Crystal Structure of CA2 Site Mutant of Pro-S324A

All present enzymatic activity of Crystal Structure of CA2 Site Mutant of Pro-S324A:
3.4.21.62;

The structure of Crystal Structure of CA2 Site Mutant of Pro-S324A, PDB code: 2zwo was solved by Y.Takeuchi, S.Tanaka, H.Matsumura, Y.Koga, K.Takano, S.Kanaya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.63 / 2.07
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	93.729, 118.314, 120.633, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 22.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Calcium atom in the Crystal Structure of CA2 Site Mutant of Pro-S324A (pdb code 2zwo). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 16 binding sites of Calcium where determined in the Crystal Structure of CA2 Site Mutant of Pro-S324A, PDB code: 2zwo:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 16 in the Crystal Structure of CA2 Site Mutant of Pro-S324A


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 CA2 Site Mutant of Pro-S324A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca399 b:24.8 occ:1.00 O A:LEU164 2.2 22.7 1.0 OD1 A:ASN166 2.3 23.5 1.0 O A:VAL170 2.3 25.1 1.0 O A:ILE168 2.4 22.7 1.0 OD1 A:ASP124 2.4 26.2 1.0 OD2 A:ASP124 2.6 19.4 1.0 OE1 A:GLN84 2.6 30.1 1.0 CG A:ASP124 2.9 22.6 1.0 CG A:ASN166 3.4 21.9 1.0 C A:LEU164 3.4 28.1 1.0 C A:VAL170 3.5 24.2 1.0 CD A:GLN84 3.6 23.1 1.0 C A:ILE168 3.6 25.9 1.0 N A:VAL170 3.7 21.8 1.0 N A:ASN166 3.8 24.8 1.0 ND2 A:ASN166 3.9 20.6 1.0 CG A:GLN84 3.9 21.4 1.0 C A:GLY169 4.1 25.0 1.0 CA A:VAL170 4.2 18.8 1.0 CG1 A:ILE168 4.3 28.3 1.0 CA A:LEU164 4.3 27.5 1.0 N A:ILE168 4.3 25.6 1.0 CB A:ASP124 4.4 23.0 1.0 N A:ASN165 4.4 24.6 1.0 N A:LEU164 4.4 28.3 1.0 CA A:GLY169 4.5 22.5 1.0 N A:GLY169 4.5 21.4 1.0 CA A:ILE168 4.5 22.9 1.0 N A:VAL171 4.5 23.2 1.0 CA A:ASN165 4.5 24.9 1.0 CA A:ASN166 4.5 22.6 1.0 C A:ASN165 4.6 25.9 1.0 CB A:ASN166 4.6 20.8 1.0 CB A:GLN84 4.6 28.4 1.0 CB A:LEU164 4.6 26.4 1.0 CA A:VAL171 4.6 22.1 1.0 C A:ASN166 4.6 27.6 1.0 NE2 A:GLN84 4.8 22.1 1.0 O A:ASN166 4.8 27.6 1.0 O A:GLY169 4.8 23.4 1.0 CB A:VAL171 4.8 26.7 1.0

Calcium binding site 2 out of 16 in the Crystal Structure of CA2 Site Mutant of Pro-S324A


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 CA2 Site Mutant of Pro-S324A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca400 b:52.3 occ:1.00 OD2 A:ASP225 2.3 34.7 1.0 OD2 A:ASP212 2.3 48.2 1.0 OD1 A:ASP214 2.3 44.9 1.0 OD1 A:ASP222 2.3 44.8 1.0 O A:ILE218 2.4 41.7 1.0 OD2 A:ASP216 3.0 60.8 1.0 OD1 A:ASP216 3.2 55.5 1.0 CG A:ASP216 3.3 56.0 1.0 CG A:ASP214 3.4 52.0 1.0 CG A:ASP212 3.5 49.8 1.0 CG A:ASP222 3.5 46.9 1.0 CG A:ASP225 3.5 39.8 1.0 C A:ILE218 3.6 42.2 1.0 OD2 A:ASP214 3.8 52.4 1.0 N A:ILE218 3.9 45.9 1.0 OD1 A:ASP212 4.1 54.6 1.0 CA A:ILE218 4.2 45.2 1.0 N A:GLY215 4.2 54.1 1.0 N A:ASP216 4.2 52.3 1.0 CA A:CA401 4.3 60.3 1.0 OD1 A:ASP225 4.3 34.8 1.0 CB A:ASP222 4.3 42.3 1.0 CB A:ILE218 4.3 46.6 1.0 OD2 A:ASP222 4.4 54.4 1.0 N A:GLY217 4.4 49.5 1.0 CA A:ASP212 4.4 53.1 1.0 C A:ASP212 4.5 55.4 1.0 CB A:ASP212 4.5 53.5 1.0 CB A:ASP225 4.6 36.5 1.0 CB A:ASP216 4.6 52.7 1.0 CB A:ASP214 4.7 53.9 1.0 N A:ILE219 4.7 41.7 1.0 N A:ASP214 4.7 57.6 1.0 C A:ASP214 4.7 55.0 1.0 C A:ASP216 4.8 48.7 1.0 CA A:ASP216 4.8 50.4 1.0 N A:LYS213 4.8 57.7 1.0 O A:ASP212 4.8 57.2 1.0 CA A:ILE219 5.0 40.4 1.0 C A:GLY217 5.0 48.3 1.0 CA A:ASP214 5.0 54.6 1.0

Calcium binding site 3 out of 16 in the Crystal Structure of CA2 Site Mutant of Pro-S324A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of CA2 Site Mutant of Pro-S324A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:60.3 occ:1.00 O A:HOH607 2.2 56.9 1.0 OD2 A:ASP224 2.2 48.4 1.0 OD2 A:ASP214 2.7 52.4 1.0 OD2 A:ASP222 2.7 54.4 1.0 OD1 A:ASP216 2.8 55.5 1.0 OD1 A:ASP222 3.0 44.8 1.0 CG A:ASP222 3.2 46.9 1.0 CG A:ASP224 3.4 41.3 1.0 CG A:ASP216 3.6 56.0 1.0 CG A:ASP214 3.7 52.0 1.0 OD2 A:ASP216 3.8 60.8 1.0 CB A:ASP224 3.9 42.2 1.0 OD1 A:ASP214 4.1 44.9 1.0 CA A:CA400 4.3 52.3 1.0 OD1 A:ASP224 4.4 42.9 1.0 CB A:ASP222 4.7 42.3 1.0 CB A:ASP216 4.9 52.7 1.0 N A:ASP224 4.9 39.8 1.0

Calcium binding site 4 out of 16 in the Crystal Structure of CA2 Site Mutant of Pro-S324A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of CA2 Site Mutant of Pro-S324A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:36.0 occ:1.00 OE1 A:GLU229 2.3 32.1 1.0 OE1 A:GLN110 2.3 29.2 1.0 O A:HOH580 2.3 38.1 1.0 O A:VAL108 2.4 34.4 1.0 O A:ALA227 2.4 41.4 1.0 O A:HOH447 2.5 27.8 1.0 OE2 A:GLU229 2.7 40.4 1.0 CD A:GLU229 2.8 29.3 1.0 CD A:GLN110 3.4 25.5 1.0 C A:VAL108 3.6 34.7 1.0 C A:ALA227 3.6 38.0 1.0 NE2 A:GLN110 3.9 25.5 1.0 O A:ASP225 4.0 41.6 1.0 N A:GLN110 4.2 28.3 1.0 N A:ALA227 4.2 33.0 1.0 CG A:GLU229 4.3 29.6 1.0 C A:ALA226 4.3 33.0 1.0 CG2 A:VAL108 4.3 28.1 1.0 CA A:ALA228 4.4 33.5 1.0 O A:ALA226 4.4 35.3 1.0 N A:ILE109 4.5 32.1 1.0 N A:ALA228 4.5 34.8 1.0 CA A:ALA227 4.5 36.1 1.0 CA A:VAL108 4.5 33.8 1.0 CA A:ILE109 4.5 31.8 1.0 C A:ALA228 4.6 32.1 1.0 C A:ILE109 4.7 31.6 1.0 CG A:GLN110 4.7 24.1 1.0 N A:GLU229 4.7 29.6 1.0 O A:HOH532 4.7 40.9 1.0 N A:GLY221 4.7 44.6 1.0 CB A:GLN110 4.7 26.1 1.0 O A:ASP222 4.9 40.1 1.0 CA A:ALA226 4.9 35.0 1.0 O A:ALA228 5.0 31.0 1.0

Calcium binding site 5 out of 16 in the Crystal Structure of CA2 Site Mutant of Pro-S324A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of CA2 Site Mutant of Pro-S324A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:37.2 occ:1.00 O A:HOH604 2.2 47.6 1.0 OD1 A:ASP315 2.3 36.4 1.0 OD2 A:ASP121 2.3 37.8 1.0 OD2 A:ASP314 2.3 57.7 1.0 OD2 A:ASP119 2.4 23.7 1.0 CG A:ASP119 3.1 25.0 1.0 OD1 A:ASP119 3.1 36.1 1.0 CG A:ASP315 3.3 31.1 1.0 CG A:ASP121 3.3 38.7 1.0 CG A:ASP314 3.4 48.0 1.0 OD1 A:ASP121 3.7 40.0 1.0 O A:HOH417 3.8 36.5 1.0 OD2 A:ASP315 3.8 31.2 1.0 OD1 A:ASP314 3.9 53.5 1.0 N A:ASP315 4.1 28.9 1.0 C A:ASP121 4.2 26.1 1.0 N A:HIS122 4.2 26.2 1.0 O A:HOH494 4.4 29.8 1.0 O A:ASP121 4.4 26.1 1.0 CB A:ASP314 4.5 35.2 1.0 CA A:ASP314 4.5 30.9 1.0 C A:ASP314 4.5 30.1 1.0 CA A:HIS122 4.6 28.5 1.0 CB A:ASP119 4.6 24.5 1.0 CB A:ASP315 4.6 32.5 1.0 CB A:ASP121 4.6 33.0 1.0 N A:ASP121 4.7 25.2 1.0 CA A:ASP315 4.8 30.7 1.0 CA A:ASP121 4.8 27.0 1.0 C A:ASP119 5.0 25.5 1.0

Calcium binding site 6 out of 16 in the Crystal Structure of CA2 Site Mutant of Pro-S324A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of CA2 Site Mutant of Pro-S324A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:35.6 occ:1.00 O A:PRO375 2.3 52.2 1.0 O A:LEU373 2.3 32.7 1.0 OD1 A:ASP372 2.3 31.8 1.0 O A:GLY377 2.4 40.0 1.0 OD1 A:ASP379 2.4 41.6 1.0 O A:HOH560 2.6 34.7 1.0 C A:PRO375 3.4 48.4 1.0 CG A:ASP372 3.4 43.1 1.0 C A:LEU373 3.5 38.9 1.0 C A:GLY377 3.6 43.9 1.0 CG A:ASP379 3.6 43.9 1.0 N A:GLY377 3.9 45.7 1.0 OD2 A:ASP372 4.0 37.2 1.0 C A:THR376 4.0 46.9 1.0 O A:GLY374 4.1 44.0 1.0 C A:GLY374 4.1 46.0 1.0 N A:LEU373 4.1 38.2 1.0 N A:ASP379 4.2 42.6 1.0 CB A:ASP379 4.2 40.8 1.0 O A:GLY383 4.3 33.2 1.0 N A:THR376 4.3 48.8 1.0 CA A:THR376 4.3 48.0 1.0 C A:ASP372 4.3 40.3 1.0 N A:PRO375 4.3 47.0 1.0 CA A:GLY377 4.4 42.5 1.0 O A:THR376 4.4 48.5 1.0 CA A:PRO375 4.4 48.7 1.0 CA A:LEU373 4.5 39.3 1.0 N A:GLY374 4.5 38.8 1.0 C A:TRP378 4.5 42.5 1.0 CA A:GLY374 4.6 43.2 1.0 CA A:ASP372 4.6 40.6 1.0 N A:TRP378 4.6 41.9 1.0 CB A:ASP372 4.6 39.2 1.0 OD2 A:ASP379 4.6 42.2 1.0 CA A:TRP378 4.8 40.6 1.0 CA A:ASP379 4.8 41.3 1.0 O A:ASP372 4.9 41.5 1.0 CB A:TYR382 4.9 34.1 1.0 O A:HOH664 4.9 41.8 1.0 CB A:PRO375 4.9 48.0 1.0 O A:TYR384 4.9 39.9 1.0

Calcium binding site 7 out of 16 in the Crystal Structure of CA2 Site Mutant of Pro-S324A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of CA2 Site Mutant of Pro-S324A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca399 b:44.6 occ:1.00 O B:VAL170 2.3 37.2 1.0 O B:LEU164 2.4 40.3 1.0 OD1 B:ASN166 2.4 47.8 1.0 OD1 B:ASP124 2.5 33.8 1.0 OE1 B:GLN84 2.5 40.4 1.0 O B:ILE168 2.6 44.8 1.0 OD2 B:ASP124 2.6 29.0 1.0 CG B:ASP124 2.9 35.7 1.0 CD B:GLN84 3.4 48.3 1.0 CG B:ASN166 3.4 49.8 1.0 C B:VAL170 3.5 37.5 1.0 C B:LEU164 3.5 41.1 1.0 CG B:GLN84 3.7 43.0 1.0 C B:ILE168 3.7 44.2 1.0 N B:VAL170 3.8 40.9 1.0 ND2 B:ASN166 4.0 32.7 1.0 N B:ASN166 4.0 50.1 1.0 C B:GLY169 4.2 40.8 1.0 N B:LEU164 4.2 41.3 1.0 CA B:VAL170 4.3 37.1 1.0 CA B:LEU164 4.3 39.9 1.0 CB B:ASP124 4.4 40.2 1.0 N B:VAL171 4.4 37.9 1.0 NE2 B:GLN84 4.5 47.7 1.0 CA B:GLY169 4.5 41.0 1.0 N B:ASN165 4.5 44.6 1.0 CA B:VAL171 4.5 34.9 1.0 CB B:GLN84 4.6 47.9 1.0 N B:GLY169 4.6 43.8 1.0 CB B:ASN166 4.6 48.9 1.0 CA B:ASN165 4.6 47.1 1.0 N B:ILE168 4.6 49.0 1.0 CG1 B:ILE168 4.6 47.7 1.0 CA B:ASN166 4.7 49.7 1.0 CB B:VAL171 4.7 39.5 1.0 CB B:LEU164 4.7 40.8 1.0 CA B:ILE168 4.7 45.1 1.0 C B:ASN165 4.8 48.8 1.0 C B:ALA163 4.8 37.5 1.0 O B:GLY169 4.8 42.1 1.0 C B:ASN166 4.8 52.6 1.0 O B:ASN166 4.9 53.5 1.0 O B:ALA163 4.9 42.4 1.0

Calcium binding site 8 out of 16 in the Crystal Structure of CA2 Site Mutant of Pro-S324A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of CA2 Site Mutant of Pro-S324A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca400 b:34.8 occ:1.00 OD1 B:ASP222 2.2 37.2 1.0 OD2 B:ASP225 2.3 28.9 1.0 OD1 B:ASP212 2.3 29.1 1.0 O B:ILE218 2.3 34.4 1.0 OD1 B:ASP216 2.4 32.7 1.0 OD2 B:ASP214 2.4 37.4 1.0 CG B:ASP216 3.3 32.8 1.0 CG B:ASP222 3.4 27.9 1.0 C B:ILE218 3.4 29.1 1.0 CG B:ASP214 3.5 30.1 1.0 CG B:ASP225 3.5 28.7 1.0 CG B:ASP212 3.5 33.6 1.0 OD2 B:ASP216 3.7 16.2 1.0 OD1 B:ASP214 3.8 32.4 1.0 N B:ILE218 3.9 31.5 1.0 CB B:ASP222 4.1 28.7 1.0 CA B:ILE218 4.1 30.4 1.0 N B:ASP216 4.3 29.8 1.0 CA B:CA401 4.3 28.9 1.0 OD2 B:ASP212 4.3 25.4 1.0 CA B:ASP212 4.3 32.2 1.0 OD1 B:ASP225 4.4 32.2 1.0 OD2 B:ASP222 4.4 32.2 1.0 CB B:ASP225 4.4 26.1 1.0 CB B:ILE218 4.4 31.7 1.0 CB B:ASP216 4.5 25.7 1.0 N B:ASP214 4.5 31.6 1.0 CB B:ASP212 4.5 28.7 1.0 N B:ILE219 4.5 32.4 1.0 C B:ASP212 4.6 27.9 1.0 CA B:ASP216 4.7 29.7 1.0 N B:GLY217 4.7 32.2 1.0 CB B:ASP214 4.8 31.5 1.0 N B:LYS213 4.8 31.7 1.0 CA B:ILE219 4.8 29.7 1.0 N B:GLY215 4.8 29.1 1.0 C B:ASP216 4.9 32.1 1.0 CA B:ASP214 5.0 32.0 1.0 C B:GLY217 5.0 35.3 1.0

Calcium binding site 9 out of 16 in the Crystal Structure of CA2 Site Mutant of Pro-S324A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Crystal Structure of CA2 Site Mutant of Pro-S324A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:28.9 occ:1.00 OD2 B:ASP216 2.2 16.2 1.0 OD2 B:ASP224 2.3 25.5 1.0 OD1 B:ASP214 2.4 32.4 1.0 OD2 B:ASP222 2.5 32.2 1.0 OD1 B:ASP222 2.8 37.2 1.0 CG B:ASP222 3.0 27.9 1.0 CG B:ASP224 3.3 32.9 1.0 CG B:ASP216 3.5 32.8 1.0 CB B:ASP224 3.5 22.8 1.0 CG B:ASP214 3.5 30.1 1.0 OD2 B:ASP214 4.0 37.4 1.0 OD1 B:ASP216 4.1 32.7 1.0 CA B:CA400 4.3 34.8 1.0 OD1 B:ASP224 4.4 22.1 1.0 CB B:ASP222 4.5 28.7 1.0 CB B:ASP216 4.5 25.7 1.0 N B:ASP224 4.6 29.3 1.0 CA B:ASP224 4.7 29.1 1.0 CB B:ASP214 4.8 31.5 1.0

Calcium binding site 10 out of 16 in the Crystal Structure of CA2 Site Mutant of Pro-S324A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Crystal Structure of CA2 Site Mutant of Pro-S324A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:47.6 occ:1.00 OD1 B:ASP372 2.1 46.4 1.0 OD1 B:ASP379 2.2 37.8 1.0 O B:LEU373 2.2 38.7 1.0 O B:GLY377 2.6 45.5 1.0 O B:PRO375 2.8 51.5 1.0 CG B:ASP372 3.3 42.9 1.0 C B:LEU373 3.4 43.8 1.0 CG B:ASP379 3.5 41.2 1.0 N B:LEU373 3.5 44.4 1.0 C B:GLY377 3.6 48.2 1.0 C B:PRO375 3.9 49.5 1.0 N B:GLY377 3.9 50.9 1.0 OD2 B:ASP372 4.0 47.0 1.0 C B:ASP372 4.0 47.1 1.0 CA B:LEU373 4.2 42.7 1.0 C B:GLY374 4.2 42.0 1.0 CA B:GLY377 4.2 50.0 1.0 O B:GLY374 4.2 40.3 1.0 OD2 B:ASP379 4.2 34.9 1.0 C B:THR376 4.3 53.9 1.0 CA B:ASP372 4.3 44.8 1.0 N B:GLY374 4.4 44.0 1.0 CB B:ASP372 4.4 45.0 1.0 CA B:GLY374 4.4 42.5 1.0 CB B:ASP379 4.5 43.5 1.0 N B:ASP379 4.5 47.4 1.0 N B:PRO375 4.5 41.6 1.0 CA B:THR376 4.5 55.4 1.0 O B:GLY383 4.5 42.3 1.0 N B:TRP378 4.6 46.5 1.0 O B:ASP372 4.6 47.4 1.0 N B:THR376 4.7 52.8 1.0 O B:TYR384 4.7 34.3 1.0 C B:TRP378 4.7 45.0 1.0 O B:THR376 4.7 52.2 1.0 CA B:PRO375 4.8 45.6 1.0 CA B:TRP378 4.8 44.1 1.0 CB B:TYR382 5.0 39.8 1.0

Y.Takeuchi, S.Tanaka, H.Matsumura, Y.Koga, K.Takano, S.Kanaya. Requirement of A Unique Ca(2+)-Binding Loop For Folding of Tk-Subtilisin From A Hyperthermophilic Archaeon. Biochemistry V. 48 10637 2009.
ISSN: ISSN 0006-2960
PubMed: 19813760
DOI: 10.1021/BI901334B