Calcium in PDB 7wbc: Hydroxysteroid Dehydrogenase Wild-Type Complexed with Nad+ and (4S)-2- 2-Methyl-2,4-Pentanediol

The structure of Hydroxysteroid Dehydrogenase Wild-Type Complexed with Nad+ and (4S)-2- 2-Methyl-2,4-Pentanediol, PDB code: 7wbc was solved by S.-C.Shi, Y.-C.Zheng, J.-H.Xu, C.-X.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.30 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	66.989, 110.27, 125.372, 90, 90, 90
R / Rfree (%)	17.6 / 22.6

The binding sites of Calcium atom in the Hydroxysteroid Dehydrogenase Wild-Type Complexed with Nad+ and (4S)-2- 2-Methyl-2,4-Pentanediol (pdb code 7wbc). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Hydroxysteroid Dehydrogenase Wild-Type Complexed with Nad+ and (4S)-2- 2-Methyl-2,4-Pentanediol, PDB code: 7wbc:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Hydroxysteroid Dehydrogenase Wild-Type Complexed with Nad+ and (4S)-2- 2-Methyl-2,4-Pentanediol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Hydroxysteroid Dehydrogenase Wild-Type Complexed with Nad+ and (4S)-2- 2-Methyl-2,4-Pentanediol within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:54.2 occ:1.00 O A:HOH511 2.7 28.9 1.0 ND1 A:HIS119 2.8 27.9 1.0 O A:HOH474 3.0 27.6 1.0 O A:ILE63 3.3 21.1 1.0 O A:HOH473 3.5 29.8 1.0 N A:PRO116 3.5 21.5 1.0 CA A:PRO116 3.6 22.7 1.0 CE1 A:HIS119 3.7 26.9 1.0 C A:TYR115 3.7 18.8 1.0 O A:TYR115 3.8 19.2 1.0 CG A:HIS119 3.8 23.4 1.0 CG A:PRO116 3.9 23.7 1.0 CD A:PRO116 4.0 22.7 1.0 CB A:HIS119 4.0 23.2 1.0 O A:ARG65 4.1 26.7 1.0 O A:SER64 4.1 23.8 1.0 CB A:PRO116 4.2 25.3 1.0 CB A:TYR115 4.2 23.4 1.0 C A:SER64 4.2 25.1 1.0 CA A:SER64 4.3 23.4 1.0 C A:ILE63 4.5 21.3 1.0 CA A:TYR115 4.6 23.2 1.0 O A:HOH444 4.6 30.9 1.0 C A:ARG65 4.7 30.7 1.0 N A:ARG65 4.7 27.5 1.0 O A:GLY111 4.8 21.3 1.0 NE2 A:HIS119 4.8 19.9 1.0 N A:SER64 4.9 22.1 1.0 CD2 A:HIS119 4.9 22.3 1.0 C A:PRO116 4.9 22.1 1.0

Calcium binding site 2 out of 2 in the Hydroxysteroid Dehydrogenase Wild-Type Complexed with Nad+ and (4S)-2- 2-Methyl-2,4-Pentanediol


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Hydroxysteroid Dehydrogenase Wild-Type Complexed with Nad+ and (4S)-2- 2-Methyl-2,4-Pentanediol within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca306 b:50.9 occ:1.00 ND1 B:HIS119 2.6 24.0 1.0 O B:HOH469 2.8 21.4 1.0 O B:HOH407 2.9 31.8 1.0 CE1 B:HIS119 3.3 25.2 1.0 N B:PRO116 3.6 20.7 1.0 C B:TYR115 3.7 19.2 1.0 O B:TYR115 3.7 19.2 1.0 O B:ILE63 3.7 22.9 1.0 O B:HOH493 3.7 32.0 1.0 CG B:HIS119 3.8 25.4 1.0 CA B:PRO116 3.8 22.1 1.0 CB B:TYR115 3.9 22.1 1.0 CD B:PRO116 4.0 20.2 1.0 CG B:PRO116 4.0 22.5 1.0 O1 B:EDO304 4.2 44.7 1.0 O B:SER64 4.2 24.0 1.0 CB B:HIS119 4.3 20.1 1.0 O B:HOH560 4.4 34.3 1.0 O B:ARG65 4.4 30.5 1.0 CB B:PRO116 4.4 21.2 1.0 CA B:TYR115 4.4 22.1 1.0 C B:SER64 4.4 27.0 1.0 NE2 B:HIS119 4.5 30.2 1.0 CA B:SER64 4.6 24.9 1.0 O B:GLY111 4.7 20.6 1.0 CD2 B:HIS119 4.8 28.3 1.0 C B:ILE63 4.8 21.7 1.0 CA B:ARG66 4.9 43.2 1.0 C B:ARG65 4.9 32.4 1.0

S.-C.Shi, Y.-C.Zheng, J.-H.Xu, C.-X.Li. Hydroxysteroid Dehydrogenase Wild-Type Complexed with Nad+ and (4S)-2-2-Methyl-2,4-Pentanediol To Be Published.