Calcium in PDB 4h15: Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21

The structure of Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21, PDB code: 4h15 was solved by A.Ghosh, S.C.Almo, New York Structural Genomics Research Consortium(Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.79 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.304, 119.143, 67.156, 90.00, 105.83, 90.00
R / Rfree (%)	15 / 16.7

The structure of Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 also contains other interesting chemical elements:

Chlorine

(Cl)

42 atoms

Pages:

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

Binding sites:

The binding sites of Calcium atom in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 (pdb code 4h15). 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 A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21, PDB code: 4h15:
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 A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:7.0 occ:1.00 O A:ALA96 2.3 8.1 1.0 O A:HOH412 2.3 7.1 1.0 OD2 A:ASP101 2.4 8.4 1.0 O A:HOH407 2.4 7.6 1.0 O A:HOH415 2.5 9.7 1.0 CG A:ASP101 3.4 9.0 1.0 C A:ALA96 3.5 7.2 1.0 OD1 A:ASP101 3.8 9.8 1.0 O A:HOH543 4.2 9.7 1.0 CA A:LEU97 4.2 7.0 1.0 N A:LEU97 4.2 6.4 1.0 N A:SER98 4.2 7.4 1.0 CB A:ALA96 4.3 9.4 1.0 N A:ALA90 4.4 10.0 1.0 CA A:ALA96 4.5 8.0 1.0 O A:ALA90 4.6 8.0 1.0 OG A:SER98 4.6 8.6 1.0 O A:HOH438 4.7 19.0 1.0 CB A:ASP101 4.7 7.4 1.0 O A:GLY91 4.7 11.4 1.0 CB A:ALA90 4.8 12.4 1.0 C A:LEU97 4.8 9.0 1.0 C A:ALA90 4.9 8.2 1.0 CA A:ALA90 5.0 8.5 1.0 O A:HOH410 5.0 7.3 1.0

Calcium binding site 2 out of 12 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:9.2 occ:1.00 O B:ALA96 2.3 11.0 1.0 OD2 B:ASP101 2.4 7.3 1.0 O B:HOH421 2.4 10.8 1.0 O B:HOH615 2.5 23.1 1.0 O B:HOH509 2.5 23.2 1.0 O B:HOH456 2.5 17.2 1.0 O B:HOH409 2.5 8.6 1.0 CA B:CA303 2.6 28.3 0.5 CG B:ASP101 3.5 8.1 1.0 C B:ALA96 3.5 8.1 1.0 OD1 B:ASP101 3.9 10.0 1.0 N B:SER98 4.3 6.6 1.0 CA B:LEU97 4.3 7.0 1.0 N B:LEU97 4.4 7.1 1.0 CB B:ALA96 4.4 9.8 1.0 O B:HOH529 4.5 13.8 1.0 CA B:ALA96 4.5 8.5 1.0 N B:ALA90 4.5 8.7 1.0 O B:HOH434 4.6 16.7 1.0 CB B:ALA90 4.7 14.5 1.0 OG B:SER98 4.7 7.4 1.0 CB B:ASP101 4.8 7.6 1.0 C B:LEU97 4.8 8.3 1.0 O B:ALA90 4.8 9.1 1.0 O B:GLY91 4.9 13.2 1.0 CB B:SER98 5.0 7.3 1.0

Calcium binding site 3 out of 12 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:17.2 occ:0.41 O C:HOH470 2.2 20.1 0.4 O C:HOH470 2.8 15.5 0.6 O C:VAL256 2.8 6.1 1.0 O C:HOH417 2.8 13.5 1.0 O B:GLY246 2.9 8.0 1.0 O C:HOH420 2.9 10.8 1.0 NZ B:LYS163 3.2 6.5 1.0 CB C:VAL256 3.5 5.8 1.0 O C:THR258 3.7 8.2 1.0 C C:VAL256 3.7 5.3 1.0 CG1 C:VAL256 3.9 8.5 1.0 CE B:LYS163 4.0 5.3 1.0 CA C:VAL256 4.0 5.2 1.0 C B:GLY246 4.1 5.7 1.0 N C:VAL256 4.3 5.6 1.0 O B:HOH459 4.4 16.8 1.0 OD2 C:ASP252 4.5 6.8 1.0 CA B:ALA247 4.5 4.4 1.0 O C:HOH456 4.6 19.6 1.0 O C:GLY254 4.7 8.0 1.0 CG2 C:VAL256 4.7 6.4 1.0 N B:ALA247 4.7 6.0 1.0 CD B:LYS163 4.8 6.2 1.0 OD1 C:ASP252 4.8 6.7 1.0 CB B:ALA247 4.8 9.7 1.0 N C:PRO257 4.8 5.0 1.0 C C:THR258 4.9 6.7 1.0 C C:GLY254 4.9 6.8 1.0 N C:THR258 5.0 5.7 1.0 O C:HOH466 5.0 17.8 1.0 CG2 C:THR250 5.0 7.8 1.0

Calcium binding site 4 out of 12 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca303 b:28.3 occ:0.53 O B:HOH615 2.3 23.1 1.0 O B:HOH434 2.6 16.7 1.0 O B:HOH509 2.6 23.2 1.0 CA B:CA301 2.6 9.2 1.0 O B:HOH529 2.7 13.8 1.0 OD2 B:ASP101 2.9 7.3 1.0 OG B:SER98 2.9 7.4 1.0 CB B:SER98 3.3 7.3 1.0 O B:HOH409 3.4 8.6 1.0 CG B:ASP101 3.6 8.1 1.0 OD1 B:ASP101 3.7 10.0 1.0 N B:SER98 4.0 6.6 1.0 O B:ALA96 4.1 11.0 1.0 CA B:SER98 4.3 6.9 1.0 O B:HOH456 4.7 17.2 1.0 CB B:ASP101 4.8 7.6 1.0 O B:HOH421 4.8 10.8 1.0

Calcium binding site 5 out of 12 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca301 b:14.6 occ:1.00 O C:ALA96 2.3 13.9 1.0 OD2 C:ASP101 2.4 10.9 1.0 O C:HOH572 2.4 23.2 1.0 O C:HOH449 2.4 15.7 1.0 O C:HOH441 2.5 22.4 1.0 O C:HOH437 2.5 14.9 1.0 O C:HOH522 2.6 27.9 1.0 CG C:ASP101 3.4 12.1 1.0 C C:ALA96 3.6 11.6 1.0 OD1 C:ASP101 3.8 14.1 1.0 N C:SER98 4.3 9.8 1.0 CA C:LEU97 4.3 10.3 1.0 N C:LEU97 4.4 10.3 1.0 O C:HOH499 4.5 27.8 1.0 CB C:ALA96 4.5 12.3 1.0 O C:HOH482 4.5 27.9 1.0 CA C:ALA96 4.6 12.1 1.0 N C:ALA90 4.6 12.2 1.0 CB C:ASP101 4.7 9.8 1.0 CB C:ALA90 4.7 13.9 1.0 O C:HOH468 4.8 26.3 1.0 OG C:SER98 4.8 12.4 1.0 C C:LEU97 4.8 11.1 1.0 O C:ALA90 4.9 13.7 1.0 CB C:SER98 5.0 11.6 1.0

Calcium binding site 6 out of 12 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca302 b:25.1 occ:0.62 CA C:CA302 0.0 25.1 0.6 CA C:CA302 2.2 18.8 0.4 O C:THR255 2.7 7.2 1.0 O C:HOH557 2.7 40.2 1.0 O C:GLY217 2.8 12.0 1.0 O C:HOH433 3.0 13.3 1.0 O C:HOH444 3.1 19.1 1.0 O C:GLY216 3.2 15.8 1.0 C C:THR255 3.6 6.1 1.0 C C:GLY216 3.6 14.3 1.0 C C:GLY217 3.8 9.6 1.0 CA C:THR255 3.9 6.5 1.0 O C:HOH531 4.1 27.9 0.7 CB C:PRO257 4.1 6.1 1.0 O C:HOH403 4.1 8.2 1.0 N C:GLY217 4.1 11.2 1.0 CD C:PRO219 4.3 8.8 1.0 CA C:GLY217 4.3 12.6 1.0 O C:GLY254 4.3 8.0 1.0 CA C:GLY216 4.4 11.1 1.0 O C:LEU215 4.4 14.5 1.0 CG2 C:THR255 4.5 6.4 1.0 O C:HOH531 4.5 12.2 0.3 CD C:PRO257 4.6 5.8 1.0 CG C:PRO257 4.7 6.7 1.0 N C:PRO257 4.7 5.0 1.0 CG C:PRO219 4.7 9.3 1.0 CA C:PRO257 4.7 5.2 1.0 O C:HOH605 4.8 26.7 0.3 CB C:THR255 4.8 5.6 1.0 N C:VAL256 4.9 5.6 1.0 N C:ILE218 4.9 9.2 1.0 O C:HOH532 4.9 27.3 1.0 N C:THR255 4.9 5.4 1.0

Calcium binding site 7 out of 12 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca302 b:18.8 occ:0.38 CA C:CA302 0.0 18.8 0.4 CA C:CA302 2.2 25.1 0.6 O C:HOH531 2.3 27.9 0.7 O C:GLY216 2.4 15.8 1.0 O C:HOH433 2.4 13.3 1.0 O C:HOH557 2.5 40.2 1.0 O C:HOH531 2.6 12.2 0.3 C C:GLY216 3.5 14.3 1.0 O B:HOH497 3.6 21.7 1.0 O B:HOH427 3.9 14.3 1.0 O C:GLY217 4.0 12.0 1.0 O C:HOH605 4.0 26.7 0.3 O C:HOH444 4.2 19.1 1.0 N C:GLY217 4.3 11.2 1.0 CA C:GLY217 4.3 12.6 1.0 CA C:GLY216 4.4 11.1 1.0 C C:GLY217 4.5 9.6 1.0 O C:HOH532 4.5 27.3 1.0 CB C:PRO257 4.6 6.1 1.0 O C:THR255 4.8 7.2 1.0 O C:HOH403 4.8 8.2 1.0

Calcium binding site 8 out of 12 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca303 b:58.9 occ:1.00 OG C:SER189 2.5 19.8 0.4 O C:HOH590 2.6 36.4 1.0 O C:ILE184 2.9 9.0 1.0 C5 C:MPD315 2.9 44.5 1.0 CL C:CL310 3.0 18.1 1.0 OG1 C:THR186 3.0 13.7 1.0 O C:HOH570 3.1 19.9 1.0 CB C:SER189 3.4 24.3 0.6 CB C:SER189 3.5 19.2 0.4 CG2 C:THR186 3.6 13.6 1.0 OG C:SER189 3.6 20.9 0.6 C4 C:MPD315 3.8 37.1 1.0 CB C:THR186 3.9 13.2 1.0 C C:ILE184 3.9 8.7 1.0 CD1 C:TRP183 4.3 17.6 1.0 N C:SER189 4.3 18.6 1.0 NE1 C:TRP183 4.4 23.5 1.0 O4 C:MPD315 4.4 46.3 1.0 CB C:ILE184 4.4 7.8 1.0 N C:ILE184 4.4 7.0 1.0 CA C:SER189 4.4 16.1 0.4 CA C:SER189 4.4 16.9 0.6 N C:THR186 4.4 12.0 1.0 CA C:ILE184 4.5 7.5 1.0 CA C:THR186 4.8 12.6 1.0 C1 C:MPD315 4.9 35.1 1.0

Calcium binding site 9 out of 12 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca301 b:14.1 occ:1.00 O D:ALA96 2.3 12.6 1.0 OD2 D:ASP101 2.4 10.4 1.0 O D:HOH586 2.4 24.1 1.0 O D:HOH735 2.5 41.6 1.0 O D:HOH726 2.5 19.6 0.6 O D:HOH532 2.5 15.3 1.0 O D:HOH526 2.5 14.1 1.0 O D:HOH726 2.6 19.0 0.4 CG D:ASP101 3.4 12.5 1.0 C D:ALA96 3.6 10.8 1.0 OD1 D:ASP101 3.8 13.8 1.0 CA D:LEU97 4.4 9.6 1.0 N D:SER98 4.4 9.2 1.0 CB D:ALA96 4.4 14.9 1.0 N D:LEU97 4.4 8.8 1.0 N D:ALA90 4.4 11.8 1.0 CA D:ALA96 4.5 10.3 1.0 O D:HOH578 4.5 26.0 1.0 O D:HOH693 4.6 27.1 1.0 CB D:ALA90 4.6 13.3 1.0 CB D:ASP101 4.7 9.8 1.0 O D:ALA90 4.8 13.4 1.0 O D:HOH673 4.8 44.0 1.0 OG D:SER98 4.9 11.7 1.0 C D:LEU97 4.9 10.1 1.0 CA D:ALA90 4.9 12.9 1.0 O D:GLY91 5.0 17.4 1.0

Calcium binding site 10 out of 12 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca302 b:16.9 occ:0.48 O D:HOH577 2.4 35.0 1.0 O B:HOH439 2.4 43.0 1.0 O B:HOH613 2.5 49.8 1.0 O D:HOH648 2.5 38.2 1.0 O D:HOH542 2.7 15.3 1.0 O D:HOH550 2.8 22.3 1.0 NZ B:LYS60 3.8 30.5 1.0 CB D:ASP99 4.5 8.4 1.0 OD1 D:ASP100 4.6 24.4 1.0 OD2 D:ASP99 4.7 14.8 1.0 O D:HOH594 4.7 38.0 1.0 OD2 D:ASP100 4.9 33.6 1.0

A.Ghosh, R.Bhoshle, R.Toro, A.Gizzi, B.Hillerich, R.Seidel, S.C.Almo, New York Structural Genomics Research Consortium. Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 To Be Published.