Zinc in PDB 1rrm: Crystal Structure of Lactaldehyde Reductase

All present enzymatic activity of Crystal Structure of Lactaldehyde Reductase:
1.1.1.77;

The structure of Crystal Structure of Lactaldehyde Reductase, PDB code: 1rrm was solved by D.Kumaran, S.Swaminathan, S.K.Burley, New York Sgx Researchcenter For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.766, 97.527, 69.514, 90.00, 113.63, 90.00
R / Rfree (%)	19.3 / 21.1

The structure of Crystal Structure of Lactaldehyde Reductase also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of Lactaldehyde Reductase (pdb code 1rrm). 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 Lactaldehyde Reductase, PDB code: 1rrm:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Lactaldehyde Reductase


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 Lactaldehyde Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn387 b:16.3 occ:1.00 NE2 A:HIS200 2.2 12.9 1.0 NE2 A:HIS277 2.2 8.9 1.0 NE2 A:HIS263 2.2 12.2 1.0 O A:HOH713 2.2 11.4 1.0 O1 A:PGO390 2.3 15.5 1.0 OD1 A:ASP196 2.3 12.4 1.0 CD2 A:HIS277 2.9 9.3 1.0 CD2 A:HIS263 3.0 12.5 1.0 CE1 A:HIS200 3.1 14.3 1.0 CD2 A:HIS200 3.1 12.9 1.0 CG A:ASP196 3.2 9.1 1.0 CE1 A:HIS263 3.2 13.3 1.0 C1 A:PGO390 3.2 22.3 1.0 CE1 A:HIS277 3.3 7.6 1.0 OD2 A:ASP196 3.4 13.9 1.0 ND2 A:ASN281 3.8 13.9 1.0 CG A:HIS277 4.1 9.2 1.0 ND1 A:HIS200 4.2 12.7 1.0 O A:HOH415 4.2 17.7 1.0 CG A:HIS263 4.2 11.6 1.0 CG A:HIS200 4.2 12.7 1.0 O1D A:APR389 4.3 24.8 1.0 ND1 A:HIS263 4.3 12.3 1.0 ND1 A:HIS277 4.3 9.6 1.0 CB A:ASP196 4.7 10.6 1.0 C2 A:PGO390 4.7 21.8 1.0 O A:ASP196 4.7 10.8 1.0 CG A:ASN281 4.9 13.1 1.0 O2 A:PGO390 4.9 29.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Lactaldehyde Reductase


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 Lactaldehyde Reductase within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn387 b:13.2 occ:1.00 NE2 B:HIS200 2.1 9.7 1.0 NE2 B:HIS263 2.1 8.5 1.0 NE2 B:HIS277 2.2 9.3 1.0 O B:HOH532 2.2 10.2 1.0 O1 B:PGO390 2.2 10.7 1.0 OD1 B:ASP196 2.3 10.0 1.0 CD2 B:HIS277 3.0 11.0 1.0 CD2 B:HIS263 3.0 9.7 1.0 CE1 B:HIS200 3.0 9.5 1.0 CD2 B:HIS200 3.1 9.3 1.0 CG B:ASP196 3.2 10.2 1.0 CE1 B:HIS263 3.2 9.0 1.0 CE1 B:HIS277 3.3 9.8 1.0 OD2 B:ASP196 3.4 14.0 1.0 C1 B:PGO390 3.4 22.0 1.0 ND2 B:ASN281 3.7 14.3 1.0 ND1 B:HIS200 4.1 10.7 1.0 CG B:HIS200 4.2 9.3 1.0 O B:HOH415 4.2 15.6 1.0 CG B:HIS277 4.2 11.1 1.0 CG B:HIS263 4.2 8.7 1.0 ND1 B:HIS263 4.3 8.6 1.0 ND1 B:HIS277 4.3 12.0 1.0 O1D B:APR389 4.3 25.1 1.0 CB B:ASP196 4.6 10.6 1.0 O B:ASP196 4.7 10.3 1.0 C2 B:PGO390 4.8 22.9 1.0 CG B:ASN281 4.9 11.7 1.0

D.Kumaran, S.Swaminathan. Crystal Structure of Lactaldehyde Reductase To Be Published.