Calcium in PDB 3lub: Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution

The structure of Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution, PDB code: 3lub 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)	43.03 / 2.11
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.906, 156.790, 170.161, 90.00, 95.29, 90.00
R / Rfree (%)	15.1 / 19.3

The structure of Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution also contains other interesting chemical elements:

Chlorine	(Cl)	13 atoms
Zinc	(Zn)	24 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Calcium atom in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution (pdb code 3lub). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 12 binding sites of Calcium where determined in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution, PDB code: 3lub:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 12 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca254 b:77.3 occ:1.00 O A:HOH1795 2.4 40.7 1.0 O F:HOH1824 2.6 46.1 1.0 O A:HOH1920 2.8 38.0 1.0 O A:HOH434 2.8 24.4 1.0 O A:HOH711 3.2 28.6 1.0 O A:HOH2071 3.4 42.7 1.0 OE2 A:GLU237 4.3 36.5 1.0 OE1 A:GLU237 4.4 42.7 1.0 CA A:GLY241 4.4 21.4 1.0 OG F:SER196 4.5 27.1 1.0 OE2 A:GLU245 4.5 34.0 1.0 OE1 F:GLU199 4.6 47.9 1.0 CA A:LYS238 4.7 23.3 1.0 O A:LYS238 4.7 21.9 1.0 CD A:GLU237 4.8 35.3 1.0 O A:GLU237 4.9 21.4 1.0 O H:HOH1899 5.0 44.6 1.0

Calcium binding site 2 out of 12 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca254 b:47.8 occ:1.00 O C:HOH873 2.3 28.0 1.0 O C:HOH1850 2.6 40.9 1.0 O C:HOH1942 2.8 42.0 1.0 O C:HOH290 2.8 22.7 1.0 O C:HOH597 2.8 25.8 1.0 O B:HOH2105 3.0 45.4 1.0 OE2 C:GLU245 4.3 33.0 1.0 CA C:GLY241 4.4 21.3 1.0 OG B:SER196 4.4 25.0 1.0 OE1 C:GLU237 4.5 42.2 1.0 OE2 C:GLU237 4.6 38.8 1.0 OE1 B:GLU199 4.6 47.8 1.0 OE2 B:GLU199 4.8 53.5 1.0 C C:GLY241 4.9 21.8 1.0 O C:LYS238 4.9 21.9 1.0 CD C:GLU237 5.0 34.8 1.0

Calcium binding site 3 out of 12 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca254 b:39.8 occ:1.00 O D:HOH1119 2.2 32.6 1.0 O D:ASP209 2.3 29.4 1.0 O D:HOH1188 2.4 34.0 1.0 O D:HOH1752 2.5 39.6 1.0 O D:HOH1204 2.5 32.8 1.0 O D:HOH1232 2.7 33.0 1.0 C D:ASP209 3.5 29.3 1.0 CA D:ASP209 4.1 28.0 1.0 CB D:ASP209 4.5 27.2 1.0 N D:LYS210 4.6 29.5 1.0 O D:THR212 4.7 35.0 1.0 CA D:LYS210 4.8 29.4 1.0

Calcium binding site 4 out of 12 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca255 b:46.3 occ:1.00 O D:HOH2150 2.4 47.1 1.0 O E:HOH2143 2.6 44.7 1.0 O E:HOH270 2.7 18.4 1.0 O D:HOH1809 2.8 37.4 1.0 O D:HOH1045 2.9 32.2 1.0 O E:HOH1781 3.1 39.2 1.0 CA D:GLY241 4.3 21.1 1.0 OG E:SER196 4.4 24.6 1.0 OE2 D:GLU245 4.4 31.2 1.0 OE1 D:GLU237 4.4 45.6 1.0 OE1 E:GLU199 4.6 45.9 1.0 O D:LYS238 4.7 21.7 1.0 CA D:LYS238 4.8 23.1 1.0 O D:GLU237 4.9 22.1 1.0 C D:GLY241 4.9 21.8 1.0 OE2 D:GLU237 4.9 39.1 1.0

Calcium binding site 5 out of 12 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca254 b:66.3 occ:1.00 O E:HOH1957 2.3 41.5 1.0 O E:ASP209 2.5 29.7 1.0 O E:HOH887 2.7 41.5 1.0 O E:HOH1669 2.7 42.7 1.0 O E:HOH1371 2.9 35.1 1.0 C E:ASP209 3.6 29.3 1.0 O E:THR212 4.0 34.9 1.0 CA E:ASP209 4.4 28.1 1.0 N E:LYS210 4.6 29.6 1.0 O E:HOH1956 4.7 44.4 1.0 CA E:LYS210 4.7 29.8 1.0 CB E:ASP209 4.9 28.6 1.0

Calcium binding site 6 out of 12 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca255 b:49.9 occ:1.00 O E:HOH1249 2.5 32.4 1.0 O E:HOH999 2.5 29.6 1.0 O D:HOH283 2.5 22.4 1.0 O E:HOH1756 2.6 41.9 1.0 O D:HOH1736 2.8 37.5 1.0 O E:HOH1533 2.9 36.9 1.0 O E:HOH1744 3.4 37.0 1.0 OG D:SER196 4.2 21.0 1.0 CA E:GLY241 4.2 21.1 1.0 OE2 E:GLU245 4.4 36.1 1.0 OE2 E:GLU237 4.5 39.1 1.0 OE1 D:GLU199 4.6 44.9 1.0 OE1 E:GLU237 4.7 42.6 1.0 O E:LYS238 4.8 22.4 1.0 C E:GLY241 4.8 21.6 1.0 CA E:LYS238 4.9 22.9 1.0

Calcium binding site 7 out of 12 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ F:Ca254 b:66.9 occ:1.00 O F:HOH581 2.6 26.9 1.0 O F:HOH883 3.0 32.3 1.0 O F:HOH2097 3.2 41.3 1.0 O A:HOH2177 3.7 48.8 1.0 CA F:GLY241 4.1 21.6 1.0 OG A:SER196 4.3 26.3 1.0 OE2 F:GLU245 4.4 35.0 1.0 OE2 F:GLU237 4.6 39.9 1.0 C F:GLY241 4.7 22.0 1.0 OE1 A:GLU199 4.7 48.3 1.0 O F:LYS238 4.8 22.3 1.0 OE1 F:GLU237 4.8 45.1 1.0 CA F:LYS238 4.9 23.4 1.0 O F:GLU237 4.9 21.7 1.0 N F:GLY241 5.0 21.2 1.0

Calcium binding site 8 out of 12 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca254 b:55.8 occ:1.00 O G:HOH1037 2.6 32.3 1.0 O L:HOH377 2.6 23.8 1.0 O L:HOH1822 2.7 37.3 1.0 O G:HOH1326 2.7 37.2 1.0 O L:HOH1567 2.8 35.5 1.0 O G:HOH2098 2.8 45.1 1.0 O G:HOH2063 3.0 46.0 1.0 OE2 G:GLU245 4.1 32.3 1.0 OG L:SER196 4.4 26.3 1.0 CA G:GLY241 4.5 21.2 1.0 OE1 L:GLU199 4.6 49.4 1.0 OE2 L:GLU199 4.7 54.5 1.0 OE1 G:GLU237 4.7 39.7 1.0 OE2 G:GLU237 4.8 38.6 1.0 O G:LYS238 5.0 22.6 1.0

Calcium binding site 9 out of 12 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ I:Ca254 b:44.6 occ:1.00 O I:ASP209 2.4 29.4 1.0 O I:HOH1420 2.5 35.0 1.0 O I:HOH698 2.5 25.1 1.0 O I:HOH1560 2.6 36.7 1.0 O I:HOH506 2.6 25.2 1.0 O I:HOH1055 2.6 30.2 1.0 O I:HOH477 2.8 22.4 1.0 C I:ASP209 3.5 29.2 1.0 CA I:ASP209 4.2 27.9 1.0 O I:THR212 4.4 35.0 1.0 CB I:ASP209 4.6 27.9 1.0 N I:LYS210 4.6 29.6 1.0 O I:HOH1284 4.6 34.2 1.0 O I:HOH1621 4.7 39.3 1.0 CA I:LYS210 4.9 29.6 1.0

Calcium binding site 10 out of 12 in the Crystal Structure of Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 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 Putative Creatinine Amidohydrolase (YP_211512.1) From Bacteroides Fragilis Nctc 9343 at 2.11 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ I:Ca255 b:56.0 occ:1.00 O I:HOH1208 2.4 35.3 1.0 O I:HOH2104 2.7 45.0 1.0 O I:HOH260 2.7 15.6 1.0 O I:HOH1476 3.0 36.5 1.0 O I:HOH1981 3.0 40.1 1.0 O I:HOH2154 3.4 44.2 1.0 CA I:GLY241 4.3 21.1 1.0 OG H:SER196 4.4 22.6 1.0 OE2 I:GLU245 4.5 33.5 1.0 OE1 I:GLU237 4.5 43.3 1.0 OE1 H:GLU199 4.6 47.1 1.0 O I:LYS238 4.7 21.9 1.0 OE2 I:GLU237 4.8 38.5 1.0 CA I:LYS238 4.8 23.5 1.0 C I:GLY241 4.9 22.2 1.0

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