Zinc in PDB 4wec: Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis

The structure of Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis, PDB code: 4wec was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.33 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.900, 96.640, 81.540, 90.00, 101.94, 90.00
R / Rfree (%)	16.5 / 19.6

The structure of Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Zinc atom in the Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis (pdb code 4wec). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis, PDB code: 4wec:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:18.1 occ:0.75 O A:HOH636 2.1 14.2 1.0 ND1 A:HIS211 2.1 18.1 1.0 O D:HOH543 2.1 15.6 1.0 O D:HOH542 2.2 18.3 1.0 ND1 D:HIS211 2.2 19.8 1.0 O A:HOH635 2.2 17.2 1.0 CE1 A:HIS211 3.0 24.0 1.0 CE1 D:HIS211 3.0 20.9 1.0 CG A:HIS211 3.2 17.8 1.0 CG D:HIS211 3.3 20.2 1.0 CB A:HIS211 3.6 19.7 1.0 CB D:HIS211 3.7 20.0 1.0 O A:HOH498 3.7 18.6 1.0 O D:HOH442 3.8 19.9 1.0 O A:TYR253 4.0 20.3 1.0 O A:ALA252 4.1 19.5 1.0 O D:ALA252 4.1 18.2 1.0 O D:TYR253 4.1 17.2 1.0 CA A:HIS211 4.1 19.3 1.0 NE2 A:HIS211 4.1 25.2 1.0 CA D:HIS211 4.1 21.0 1.0 NE2 D:HIS211 4.2 24.6 1.0 CD2 A:HIS211 4.3 19.7 1.0 CD2 D:HIS211 4.3 21.6 1.0 C A:TYR253 4.9 18.3 1.0 C D:TYR253 4.9 16.8 1.0 O A:VAL210 4.9 21.9 1.0 O D:VAL210 5.0 20.3 1.0 O D:HIS211 5.0 20.7 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn304 b:18.2 occ:0.69 O B:HOH584 2.1 19.5 1.0 O C:HOH554 2.1 16.2 1.0 O B:HOH586 2.1 19.8 1.0 O C:HOH553 2.2 18.3 1.0 ND1 C:HIS211 2.2 21.3 1.0 ND1 B:HIS211 2.2 17.8 1.0 CE1 B:HIS211 3.0 17.4 1.0 CE1 C:HIS211 3.0 21.6 1.0 CG C:HIS211 3.3 17.8 1.0 CG B:HIS211 3.3 20.6 1.0 CB C:HIS211 3.7 15.1 1.0 O C:HOH555 3.7 20.1 1.0 O B:HOH585 3.7 19.1 1.0 CB B:HIS211 3.8 18.9 1.0 O B:TYR253 4.0 21.9 1.0 O B:ALA252 4.1 18.4 1.0 O C:TYR253 4.1 20.6 1.0 O C:ALA252 4.1 15.6 1.0 CA C:HIS211 4.1 17.0 1.0 CA B:HIS211 4.2 16.6 1.0 NE2 C:HIS211 4.2 21.2 1.0 NE2 B:HIS211 4.2 20.4 1.0 CD2 C:HIS211 4.3 16.6 1.0 CD2 B:HIS211 4.4 21.5 1.0 C B:TYR253 4.9 18.4 1.0 O C:HIS211 4.9 17.3 1.0 C C:TYR253 4.9 17.1 1.0 O C:VAL210 5.0 20.1 1.0 O B:HIS211 5.0 16.7 1.0 O B:VAL210 5.0 22.0 1.0 C B:ALA252 5.0 18.2 1.0

Seattle Structural Genomics Center For Infectious Disease(Ssgcid), J.Abendroth, B.Sankaran, D.M.Dranow, D.Lorimer, T.E.Edwards. Crystal Structure of A Short Chain Dehydrogenase From Mycobacterium Smegmatis To Be Published.