Zinc in PDB 1q74: The Crystal Structure of 1D-Myo-Inosityl 2-Acetamido-2- Deoxy-Alpha-D-Glucopyranoside Deacetylase (Mshb)

The structure of The Crystal Structure of 1D-Myo-Inosityl 2-Acetamido-2- Deoxy-Alpha-D-Glucopyranoside Deacetylase (Mshb), PDB code: 1q74 was solved by J.T.Maynes, C.Garen, M.M.Cherney, G.Newton, D.Arad, Y.Av-Gay, R.C.Fahey, M.N.James, Tb Structural Genomics Consortium(Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.84 / 1.70
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	56.794, 73.964, 85.587, 102.09, 108.16, 97.18
R / Rfree (%)	19.4 / 22.8

The binding sites of Zinc atom in the The Crystal Structure of 1D-Myo-Inosityl 2-Acetamido-2- Deoxy-Alpha-D-Glucopyranoside Deacetylase (Mshb) (pdb code 1q74). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the The Crystal Structure of 1D-Myo-Inosityl 2-Acetamido-2- Deoxy-Alpha-D-Glucopyranoside Deacetylase (Mshb), PDB code: 1q74:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the The Crystal Structure of 1D-Myo-Inosityl 2-Acetamido-2- Deoxy-Alpha-D-Glucopyranoside Deacetylase (Mshb)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Crystal Structure of 1D-Myo-Inosityl 2-Acetamido-2- Deoxy-Alpha-D-Glucopyranoside Deacetylase (Mshb) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn304 b:15.1 occ:1.00 OD2 A:ASP16 2.1 14.1 1.0 NE2 A:HIS147 2.1 15.6 1.0 ND1 A:HIS13 2.1 14.3 1.0 O A:HOH819 2.2 17.8 1.0 O A:HOH837 2.3 22.2 1.0 OD1 A:ASP16 2.8 14.5 1.0 CG A:ASP16 2.8 15.2 1.0 CE1 A:HIS147 2.9 15.3 1.0 CE1 A:HIS13 3.0 15.2 1.0 CG A:HIS13 3.2 14.4 1.0 CD2 A:HIS147 3.2 15.7 1.0 CB A:HIS13 3.6 13.3 1.0 ND1 A:HIS147 4.1 15.3 1.0 NE2 A:HIS13 4.2 13.5 1.0 CB A:ASP16 4.2 10.6 1.0 CG A:HIS147 4.2 13.4 1.0 CD2 A:HIS13 4.3 14.2 1.0 N A:HIS13 4.3 12.0 1.0 O A:HOH861 4.4 25.8 1.0 OD1 A:ASP15 4.4 21.8 1.0 O A:HOH932 4.4 36.7 1.0 CB A:ALA12 4.5 13.1 1.0 CA A:HIS13 4.6 12.5 1.0 OH A:TYR136 4.9 12.3 1.0

Zinc binding site 2 out of 4 in the The Crystal Structure of 1D-Myo-Inosityl 2-Acetamido-2- Deoxy-Alpha-D-Glucopyranoside Deacetylase (Mshb)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Crystal Structure of 1D-Myo-Inosityl 2-Acetamido-2- Deoxy-Alpha-D-Glucopyranoside Deacetylase (Mshb) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn304 b:13.8 occ:1.00 OD2 B:ASP16 2.0 13.9 1.0 NE2 B:HIS147 2.1 17.3 1.0 O B:HOH499 2.1 28.1 1.0 ND1 B:HIS13 2.2 17.1 1.0 O B:HOH420 2.3 26.2 1.0 OD1 B:ASP16 2.7 14.7 1.0 CG B:ASP16 2.7 13.1 1.0 CE1 B:HIS13 3.0 20.5 1.0 CE1 B:HIS147 3.0 18.6 1.0 CG B:HIS13 3.1 15.9 1.0 CD2 B:HIS147 3.1 16.0 1.0 CB B:HIS13 3.5 11.5 1.0 O B:HOH514 3.8 61.0 1.0 NE2 B:HIS13 4.0 23.3 1.0 CD2 B:HIS13 4.0 28.0 1.0 ND1 B:HIS147 4.1 15.1 1.0 CB B:ASP16 4.2 10.1 1.0 CG B:HIS147 4.2 13.8 1.0 N B:HIS13 4.3 11.7 1.0 OD1 B:ASP15 4.3 19.9 1.0 CA B:HIS13 4.5 11.4 1.0 CB B:ALA12 4.5 11.7 1.0 O B:HOH426 4.6 32.9 1.0 OH B:TYR136 4.8 12.5 1.0

Zinc binding site 3 out of 4 in the The Crystal Structure of 1D-Myo-Inosityl 2-Acetamido-2- Deoxy-Alpha-D-Glucopyranoside Deacetylase (Mshb)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of The Crystal Structure of 1D-Myo-Inosityl 2-Acetamido-2- Deoxy-Alpha-D-Glucopyranoside Deacetylase (Mshb) within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn304 b:15.1 occ:1.00 NE2 C:HIS147 2.1 15.4 1.0 ND1 C:HIS13 2.1 23.2 1.0 OD2 C:ASP16 2.1 14.4 1.0 O C:HOH519 2.1 22.5 1.0 O C:HOH362 2.4 29.6 1.0 OD1 C:ASP16 2.7 15.9 1.0 CG C:ASP16 2.8 14.9 1.0 CE1 C:HIS13 2.8 27.8 1.0 CG C:HIS13 2.9 18.2 1.0 CE1 C:HIS147 2.9 18.9 1.0 CD2 C:HIS147 3.2 18.2 1.0 CB C:HIS13 3.5 13.8 1.0 O C:HOH502 3.5 51.8 1.0 NE2 C:HIS13 3.6 33.3 1.0 CD2 C:HIS13 3.6 35.8 1.0 ND1 C:HIS147 4.1 16.0 1.0 CG C:HIS147 4.2 16.1 1.0 CB C:ASP16 4.2 9.8 1.0 N C:HIS13 4.3 11.7 1.0 O C:HOH365 4.3 33.5 1.0 CA C:HIS13 4.4 13.0 1.0 OD1 C:ASP15 4.5 22.0 1.0 CB C:ALA12 4.5 12.3 1.0 OH C:TYR136 4.8 11.2 1.0

Zinc binding site 4 out of 4 in the The Crystal Structure of 1D-Myo-Inosityl 2-Acetamido-2- Deoxy-Alpha-D-Glucopyranoside Deacetylase (Mshb)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of The Crystal Structure of 1D-Myo-Inosityl 2-Acetamido-2- Deoxy-Alpha-D-Glucopyranoside Deacetylase (Mshb) within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn304 b:21.4 occ:1.00 OD2 D:ASP16 2.0 19.7 1.0 ND1 D:HIS13 2.1 24.9 1.0 NE2 D:HIS147 2.1 22.0 1.0 O D:HOH311 2.3 28.8 1.0 OD1 D:ASP16 2.7 19.1 1.0 CG D:ASP16 2.7 19.7 1.0 CE1 D:HIS13 2.9 21.7 1.0 CE1 D:HIS147 3.0 27.4 1.0 CG D:HIS13 3.1 22.7 1.0 O D:HOH417 3.2 45.0 1.0 CD2 D:HIS147 3.2 24.0 1.0 CB D:HIS13 3.5 20.2 1.0 NE2 D:HIS13 4.0 24.5 1.0 CD2 D:HIS13 4.0 26.5 1.0 ND1 D:HIS147 4.1 21.6 1.0 CB D:ASP16 4.2 17.9 1.0 CG D:HIS147 4.3 21.8 1.0 N D:HIS13 4.3 18.9 1.0 OD1 D:ASP15 4.4 24.5 1.0 CA D:HIS13 4.5 19.4 1.0 CB D:ALA12 4.5 19.5 1.0 OH D:TYR136 4.9 21.6 1.0

J.T.Maynes, C.Garen, M.M.Cherney, G.Newton, D.Arad, Y.Av-Gay, R.C.Fahey, M.N.James. The Crystal Structure of 1-D-Myo-Inosityl 2-Acetamido-2-Deoxy-Alpha-D-Glucopyranoside Deacetylase (Mshb) From Mycobacterium Tuberculosis Reveals A Zinc Hydrolase with A Lactate Dehydrogenase Fold. J.Biol.Chem. V. 278 47166 2003.
ISSN: ISSN 0021-9258
PubMed: 12958317
DOI: 10.1074/JBC.M308914200