Calcium in PDB 2ii1: Crystal Structure of Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution

The structure of Crystal Structure of Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution, PDB code: 2ii1 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)	28.89 / 1.95
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	43.759, 69.605, 94.984, 73.95, 88.91, 86.63
R / Rfree (%)	17.5 / 22.8

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Calcium atom in the Crystal Structure of Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution (pdb code 2ii1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 15 binding sites of Calcium where determined in the Crystal Structure of Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution, PDB code: 2ii1:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 15 in the Crystal Structure of Acetamidase (10172637) From Bacillus Halodurans at 1.95 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 Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca400 b:15.0 occ:1.00 OD1 A:ASN154 2.3 9.4 1.0 O A:HOH442 2.3 14.9 1.0 OD2 A:ASP156 2.4 11.4 1.0 OD2 A:ASP181 2.4 13.6 1.0 OD1 A:ASP156 2.5 15.9 1.0 O A:HOH514 2.5 22.8 1.0 CG A:ASP156 2.8 13.7 1.0 CG A:ASN154 3.3 16.4 1.0 CG A:ASP181 3.4 18.4 1.0 ND2 A:ASN154 3.6 15.2 1.0 CA A:CA401 3.7 13.4 1.0 OD1 A:ASP181 3.9 5.2 1.0 OE2 A:GLU190 4.0 12.2 1.0 O A:HOH460 4.2 20.8 1.0 CB A:ASP156 4.3 12.9 1.0 ND2 A:ASN277 4.4 7.0 1.0 OE1 A:GLU190 4.4 16.2 1.0 CE1 A:HIS183 4.5 16.9 1.0 OD1 A:ASN57 4.6 30.0 1.0 CB A:ASP181 4.6 10.6 1.0 NE2 A:HIS183 4.6 5.1 1.0 CD A:GLU190 4.6 15.8 1.0 OD1 A:ASN277 4.6 5.7 1.0 CG2 A:VAL133 4.7 13.6 1.0 CB A:ASN154 4.7 12.0 1.0 O A:GLY132 4.8 12.5 1.0 CA A:GLY132 4.9 9.1 1.0 CG A:ASN277 4.9 12.8 1.0 C A:GLY132 4.9 8.4 1.0

Calcium binding site 2 out of 15 in the Crystal Structure of Acetamidase (10172637) From Bacillus Halodurans at 1.95 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 Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:13.4 occ:1.00 O A:HOH514 2.0 22.8 1.0 OE1 A:GLU197 2.0 19.6 1.0 OD1 A:ASP181 2.1 5.2 1.0 NE2 A:HIS183 2.1 5.1 1.0 OE2 A:GLU197 2.4 13.9 1.0 CD A:GLU197 2.5 14.7 1.0 CG A:ASP181 2.9 18.4 1.0 OD2 A:ASP181 3.0 13.6 1.0 CE1 A:HIS183 3.1 16.9 1.0 CD2 A:HIS183 3.1 20.7 1.0 SG A:CYS36 3.3 29.1 1.0 CA A:CA400 3.7 15.0 1.0 CG A:GLU197 4.0 13.3 1.0 OE2 A:GLU190 4.1 12.2 1.0 O A:HOH460 4.1 20.8 1.0 CB A:CYS36 4.2 21.3 1.0 ND1 A:HIS183 4.2 19.4 1.0 O A:HOH432 4.2 16.8 1.0 CG A:HIS183 4.3 7.5 1.0 CB A:ASP181 4.3 10.6 1.0 O A:ASP181 4.5 12.0 1.0 N A:GLY195 4.6 11.8 1.0 OD1 A:ASP156 4.6 15.9 1.0 CB A:GLU197 4.8 10.2 1.0 CA A:ASP181 4.8 14.5 1.0 C A:ASP181 4.8 12.5 1.0 O A:LEU182 4.9 9.6 1.0 O A:HOH442 4.9 14.9 1.0

Calcium binding site 3 out of 15 in the Crystal Structure of Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution


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 Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca400 b:17.9 occ:1.00 OD2 B:ASP181 2.3 20.4 1.0 O B:HOH504 2.4 11.4 1.0 OD1 B:ASN154 2.4 7.2 1.0 OD2 B:ASP156 2.4 16.9 1.0 O B:HOH409 2.5 15.6 1.0 OD1 B:ASP156 2.6 14.2 1.0 CG B:ASP156 2.8 20.0 1.0 CG B:ASP181 3.3 12.3 1.0 CG B:ASN154 3.4 19.5 1.0 CA B:CA401 3.7 15.7 1.0 ND2 B:ASN154 3.7 14.0 1.0 OD1 B:ASP181 3.8 6.5 1.0 OE2 B:GLU190 3.9 16.3 1.0 CB B:ASP156 4.3 15.7 1.0 ND2 B:ASN57 4.4 32.1 1.0 OE1 B:GLU190 4.4 13.9 1.0 NE2 B:HIS183 4.5 13.6 1.0 CE1 B:HIS183 4.5 16.2 1.0 CB B:ASP181 4.5 12.8 1.0 CG2 B:VAL133 4.6 8.4 1.0 CD B:GLU190 4.6 10.6 1.0 ND2 B:ASN277 4.6 10.2 1.0 OD1 B:ASN277 4.7 10.0 1.0 CB B:ASN154 4.7 13.8 1.0 CA B:GLY132 4.8 11.5 1.0 C B:GLY132 4.9 12.0 1.0 O B:GLY132 4.9 11.6 1.0

Calcium binding site 4 out of 15 in the Crystal Structure of Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution


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 Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:15.7 occ:1.00 OD1 B:ASP181 1.9 6.5 1.0 O B:HOH504 2.0 11.4 1.0 OE1 B:GLU197 2.1 26.5 1.0 NE2 B:HIS183 2.1 13.6 1.0 OE2 B:GLU197 2.4 20.1 1.0 CD B:GLU197 2.5 19.5 1.0 CG B:ASP181 2.8 12.3 1.0 CD2 B:HIS183 3.0 11.9 1.0 OD2 B:ASP181 3.0 20.4 1.0 CE1 B:HIS183 3.2 16.2 1.0 SG B:CYS36 3.4 31.6 1.0 CA B:CA400 3.7 17.9 1.0 CG B:GLU197 4.0 15.2 1.0 OE2 B:GLU190 4.1 16.3 1.0 CB B:CYS36 4.2 22.1 1.0 CG B:HIS183 4.2 14.5 1.0 ND1 B:HIS183 4.2 17.2 1.0 CB B:ASP181 4.3 12.8 1.0 O B:HOH425 4.3 18.1 1.0 OD1 B:ASP156 4.6 14.2 1.0 O B:ASP181 4.6 11.3 1.0 N B:GLY195 4.7 14.8 1.0 CA B:ASP181 4.7 13.3 1.0 CB B:GLU197 4.8 14.0 1.0 C B:ASP181 4.8 10.7 1.0 O B:HOH409 4.9 15.6 1.0 O B:LEU182 4.9 11.4 1.0

Calcium binding site 5 out of 15 in the Crystal Structure of Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution


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 Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca402 b:30.5 occ:1.00 O B:HOH503 2.1 25.1 1.0 O B:GLY163 2.3 11.6 1.0 O B:HOH421 2.4 21.9 1.0 OD1 B:ASP222 3.0 33.2 1.0 C B:GLY163 3.3 12.1 1.0 CG B:ASP222 3.8 29.8 1.0 CA B:GLY163 4.1 13.4 1.0 OG1 B:THR165 4.1 11.5 1.0 OD2 B:ASP222 4.1 47.9 1.0 N B:THR164 4.3 13.7 1.0 CA B:THR164 4.4 11.3 1.0 N B:ASP222 4.5 12.8 1.0 C B:THR221 4.5 12.8 1.0 C B:THR164 4.6 12.4 1.0 O B:LYS220 4.6 12.7 1.0 N B:THR165 4.6 10.2 1.0 O B:THR221 4.6 12.1 1.0 CA B:ASP222 4.7 16.1 1.0 CB B:ASP222 4.9 18.9 1.0 O B:HOH424 5.0 29.8 1.0

Calcium binding site 6 out of 15 in the Crystal Structure of Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution


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 Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca403 b:19.7 occ:1.00 O B:LEU255 2.4 14.9 1.0 O B:ALA250 2.4 19.0 1.0 O B:THR253 2.5 13.8 1.0 C B:LEU255 3.4 11.4 1.0 C B:ALA250 3.5 18.2 1.0 C B:THR253 3.7 14.3 1.0 C B:ALA254 4.0 10.6 1.0 N B:LEU255 4.0 9.2 1.0 CA B:ALA250 4.1 17.7 1.0 O B:ALA254 4.2 8.4 1.0 N B:SER256 4.3 10.9 1.0 CA B:LEU255 4.3 9.8 1.0 CA B:ALA254 4.3 11.8 1.0 N B:ALA254 4.4 12.1 1.0 CA B:SER256 4.5 12.2 1.0 N B:ASN251 4.6 16.4 1.0 N B:THR253 4.6 16.5 1.0 CB B:ALA250 4.7 19.8 1.0 CA B:THR253 4.7 15.9 0.5 CA B:THR253 4.8 14.3 0.5 CA B:ASN251 4.9 15.0 1.0 C B:ASN251 4.9 15.6 1.0 O B:ASN251 4.9 14.5 1.0 OG1 B:THR253 5.0 5.7 0.5 O B:LEU249 5.0 17.3 1.0

Calcium binding site 7 out of 15 in the Crystal Structure of Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution


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 Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca404 b:19.6 occ:1.00 OE2 B:GLU66 2.5 6.8 1.0 OE1 B:GLU66 2.5 13.2 1.0 CD B:GLU66 2.8 14.2 1.0 CG B:GLU66 4.2 5.6 1.0 O B:HOH422 4.5 28.3 1.0 NE2 B:GLN24 4.6 22.2 1.0 CB B:GLU66 5.0 15.2 1.0

Calcium binding site 8 out of 15 in the Crystal Structure of Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution


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 Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca400 b:21.2 occ:1.00 OD2 C:ASP181 2.3 14.0 1.0 O C:HOH488 2.4 19.5 1.0 O C:HOH405 2.5 20.1 1.0 OD1 C:ASN154 2.5 12.2 1.0 O C:HOH505 2.5 17.8 1.0 OD2 C:ASP156 2.5 11.9 1.0 OD1 C:ASP156 2.5 20.8 1.0 CG C:ASP156 2.9 15.2 1.0 CG C:ASP181 3.3 13.9 1.0 CG C:ASN154 3.5 19.9 1.0 CA C:CA401 3.7 18.5 1.0 OD1 C:ASP181 3.8 11.9 1.0 ND2 C:ASN154 3.9 9.5 1.0 O C:HOH480 4.0 25.5 1.0 OE2 C:GLU190 4.2 19.2 1.0 CB C:ASP156 4.4 13.5 1.0 NE2 C:HIS183 4.4 13.9 1.0 CB C:ASP181 4.5 13.2 1.0 CG2 C:VAL133 4.5 14.3 1.0 ND2 C:ASN277 4.5 6.0 1.0 CE1 C:HIS183 4.5 16.0 1.0 ND2 C:ASN57 4.6 30.2 1.0 OE1 C:GLU190 4.6 11.1 1.0 OD1 C:ASN277 4.7 12.6 1.0 CD C:GLU190 4.8 11.3 1.0 CB C:ASN154 4.8 15.4 1.0 O C:GLY132 4.8 14.2 1.0 C C:GLY132 4.9 13.1 1.0 CA C:GLY132 4.9 13.5 1.0 CG C:ASN277 5.0 14.6 1.0

Calcium binding site 9 out of 15 in the Crystal Structure of Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution


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 Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca401 b:18.5 occ:1.00 OD1 C:ASP181 2.0 11.9 1.0 O C:HOH505 2.0 17.8 1.0 NE2 C:HIS183 2.2 13.9 1.0 OE1 C:GLU197 2.2 24.6 1.0 OE2 C:GLU197 2.3 19.6 1.0 CD C:GLU197 2.6 19.4 1.0 CG C:ASP181 2.9 13.9 1.0 CD2 C:HIS183 3.0 14.3 1.0 OD2 C:ASP181 3.0 14.0 1.0 CE1 C:HIS183 3.3 16.0 1.0 SG C:CYS36 3.5 35.3 1.0 CA C:CA400 3.7 21.2 1.0 O C:HOH480 4.0 25.5 1.0 O C:HOH405 4.0 20.1 1.0 CG C:GLU197 4.1 10.7 1.0 OE2 C:GLU190 4.2 19.2 1.0 O C:HOH473 4.2 19.9 1.0 CG C:HIS183 4.2 11.4 1.0 CB C:CYS36 4.3 25.7 1.0 CB C:ASP181 4.3 13.2 1.0 ND1 C:HIS183 4.3 16.6 1.0 OD1 C:ASP156 4.5 20.8 1.0 O C:ASP181 4.6 15.5 1.0 N C:GLY195 4.6 15.5 1.0 CA C:ASP181 4.8 11.9 1.0 CB C:GLU197 4.8 13.8 1.0 C C:ASP181 4.9 11.7 1.0 O C:HOH488 4.9 19.5 1.0 O C:LEU182 5.0 13.8 1.0

Calcium binding site 10 out of 15 in the Crystal Structure of Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution


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 Acetamidase (10172637) From Bacillus Halodurans at 1.95 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca402 b:16.7 occ:1.00 O C:ALA250 2.2 14.1 1.0 O C:HOH429 2.2 11.2 1.0 O C:THR253 2.4 8.3 1.0 O C:LEU255 2.5 13.7 1.0 O C:HOH507 2.5 22.0 1.0 C C:ALA250 3.3 14.4 1.0 C C:LEU255 3.5 11.4 1.0 C C:THR253 3.6 10.4 1.0 CA C:ALA250 4.0 14.8 1.0 N C:LEU255 4.1 10.8 1.0 C C:ALA254 4.1 9.7 1.0 N C:SER256 4.4 11.1 1.0 CA C:ALA254 4.4 9.4 1.0 CA C:LEU255 4.4 10.4 1.0 N C:ASN251 4.4 11.2 1.0 O C:ALA254 4.4 10.8 1.0 N C:ALA254 4.4 8.8 1.0 N C:THR253 4.5 14.1 1.0 CA C:SER256 4.6 9.7 1.0 CB C:ALA250 4.6 12.4 1.0 CA C:THR253 4.7 11.8 1.0 CA C:ASN251 4.7 14.0 1.0 C C:ASN251 4.8 15.3 1.0 OG1 C:THR253 4.8 18.4 1.0 O C:ASN251 4.9 16.2 1.0 O C:LEU249 4.9 16.8 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.