Zinc in PDB 4mgr: The Crystal Structure of Bacillus Subtilis Gabr, An Autorepressor and Plp- and Gaba-Dependent Transcriptional Activator of Gabt

The structure of The Crystal Structure of Bacillus Subtilis Gabr, An Autorepressor and Plp- and Gaba-Dependent Transcriptional Activator of Gabt, PDB code: 4mgr was solved by R.Wu, R.Edayathumangalam, R.Garcia, Y.Wang, W.Wang, C.A.Kreinbring, A.Bach, J.Liao, T.Stone, T.Terwilliger, Q.Q.Hoang, B.R.Belitsky, G.A.Petsko, D.Ringe, D.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.30 / 2.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	99.930, 101.360, 213.200, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 24.4

The binding sites of Zinc atom in the The Crystal Structure of Bacillus Subtilis Gabr, An Autorepressor and Plp- and Gaba-Dependent Transcriptional Activator of Gabt (pdb code 4mgr). 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 Bacillus Subtilis Gabr, An Autorepressor and Plp- and Gaba-Dependent Transcriptional Activator of Gabt, PDB code: 4mgr:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the The Crystal Structure of Bacillus Subtilis Gabr, An Autorepressor and Plp- and Gaba-Dependent Transcriptional Activator of Gabt


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 Bacillus Subtilis Gabr, An Autorepressor and Plp- and Gaba-Dependent Transcriptional Activator of Gabt within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:63.5 occ:1.00 O A:HOH610 2.4 15.0 1.0 O A:HOH611 2.4 43.2 1.0 OD1 A:ASN303 2.4 49.8 1.0 O A:HOH619 2.6 28.3 1.0 CG A:ASN303 3.4 19.3 1.0 ND2 A:ASN303 3.8 47.4 1.0 O A:PHE301 4.2 37.2 1.0 CB A:ASN303 4.7 22.5 1.0 N A:ARG273 4.8 34.7 1.0 O A:ARG274 4.8 33.7 1.0

Zinc binding site 2 out of 4 in the The Crystal Structure of Bacillus Subtilis Gabr, An Autorepressor and Plp- and Gaba-Dependent Transcriptional Activator of Gabt


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 Bacillus Subtilis Gabr, An Autorepressor and Plp- and Gaba-Dependent Transcriptional Activator of Gabt within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:88.7 occ:1.00 ND2 B:ASN303 2.1 28.4 1.0 O B:HOH685 2.2 55.5 1.0 CG B:ASN303 3.3 32.5 1.0 OD1 B:ASN303 3.7 38.0 1.0 OE1 B:GLU328 4.2 81.0 1.0 O B:ARG274 4.3 33.2 1.0 O B:PHE301 4.4 44.3 1.0 N B:ARG273 4.4 45.0 1.0 CB B:ASN303 4.6 28.2 1.0 O B:ALA268 4.6 29.1 1.0 O B:GLU271 4.7 48.3 1.0 N B:ARG274 4.8 41.6 1.0 CA B:ASN303 4.9 19.5 1.0

Zinc binding site 3 out of 4 in the The Crystal Structure of Bacillus Subtilis Gabr, An Autorepressor and Plp- and Gaba-Dependent Transcriptional Activator of Gabt


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 Bacillus Subtilis Gabr, An Autorepressor and Plp- and Gaba-Dependent Transcriptional Activator of Gabt within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn501 b:78.5 occ:1.00 O C:HOH722 2.2 45.3 1.0 OD1 C:ASN303 2.5 49.0 1.0 CG C:ASN303 3.6 38.2 1.0 O C:HOH726 3.7 47.8 1.0 ND2 C:ASN303 4.1 39.7 1.0 N C:ARG273 4.3 35.5 1.0 O C:PHE301 4.5 30.9 1.0 O C:ARG274 4.6 33.6 1.0 CA C:PRO272 4.8 44.8 1.0 CB C:ASN303 4.9 33.6 1.0 OE2 C:GLU328 4.9 56.1 1.0 C C:PRO272 5.0 42.2 1.0

Zinc binding site 4 out of 4 in the The Crystal Structure of Bacillus Subtilis Gabr, An Autorepressor and Plp- and Gaba-Dependent Transcriptional Activator of Gabt


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 Bacillus Subtilis Gabr, An Autorepressor and Plp- and Gaba-Dependent Transcriptional Activator of Gabt within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn501 b:81.9 occ:1.00 O D:HOH701 2.1 51.1 1.0 O D:HOH657 2.1 45.0 1.0 O D:HOH714 2.4 48.0 1.0 OD1 D:ASN303 2.6 34.8 1.0 CG D:ASN303 3.7 33.2 1.0 N D:ARG273 4.0 31.1 1.0 ND2 D:ASN303 4.2 34.1 1.0 CA D:PRO272 4.3 48.3 1.0 O D:GLU271 4.4 40.0 1.0 O D:PHE301 4.5 24.0 1.0 C D:PRO272 4.5 44.3 1.0 N D:ARG274 4.6 35.5 1.0 O D:ARG274 4.7 36.8 1.0 OE1 D:GLU328 4.8 63.2 1.0 CA D:ARG273 4.8 43.2 1.0 CB D:ASN303 4.9 19.0 1.0 O D:ALA268 4.9 42.3 1.0

R.Edayathumangalam, R.Wu, R.Garcia, Y.Wang, W.Wang, C.A.Kreinbring, A.Bach, J.Liao, T.A.Stone, T.C.Terwilliger, Q.Q.Hoang, B.R.Belitsky, G.A.Petsko, D.Ringe, D.Liu. Crystal Structure of Bacillus Subtilis Gabr, An Autorepressor and Transcriptional Activator of Gabt. Proc.Natl.Acad.Sci.Usa V. 110 17820 2013.
ISSN: ISSN 0027-8424
PubMed: 24127574
DOI: 10.1073/PNAS.1315887110