Zinc in PDB 3tgn: Crystal Structure of the Zinc-Dependent Marr Family Transcriptional Regulator Adcr in the Zn(II)-Bound State

The structure of Crystal Structure of the Zinc-Dependent Marr Family Transcriptional Regulator Adcr in the Zn(II)-Bound State, PDB code: 3tgn was solved by A.J.Guerra, C.E.Dann Iii, D.P.Giedroc, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.77 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.848, 57.621, 85.443, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 25

The binding sites of Zinc atom in the Crystal Structure of the Zinc-Dependent Marr Family Transcriptional Regulator Adcr in the Zn(II)-Bound State (pdb code 3tgn). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of the Zinc-Dependent Marr Family Transcriptional Regulator Adcr in the Zn(II)-Bound State, PDB code: 3tgn:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of the Zinc-Dependent Marr Family Transcriptional Regulator Adcr in the Zn(II)-Bound State


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 the Zinc-Dependent Marr Family Transcriptional Regulator Adcr in the Zn(II)-Bound State within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn147 b:14.3 occ:1.00 OE1 A:GLU24 2.0 13.8 1.0 NE2 A:HIS112 2.0 12.7 1.0 ND1 A:HIS42 2.0 11.2 1.0 NE2 A:HIS108 2.1 13.8 1.0 CD A:GLU24 2.7 13.6 1.0 OE2 A:GLU24 2.8 11.1 1.0 CE1 A:HIS42 2.9 12.1 1.0 CE1 A:HIS108 2.9 13.8 1.0 CE1 A:HIS112 3.0 14.1 1.0 CD2 A:HIS112 3.0 11.3 1.0 CD2 A:HIS108 3.1 9.6 1.0 CG A:HIS42 3.1 12.8 1.0 CB A:HIS42 3.5 14.1 1.0 ND1 A:HIS108 4.1 12.2 1.0 NE2 A:HIS42 4.1 11.6 1.0 ND1 A:HIS112 4.1 15.1 1.0 CG A:HIS112 4.1 13.7 1.0 CG A:GLU24 4.1 15.0 1.0 CG A:HIS108 4.2 8.9 1.0 CD2 A:HIS42 4.2 12.6 1.0 CA A:HIS42 4.2 13.8 1.0 CE A:MET45 4.4 13.9 1.0 CD1 A:LEU26 4.4 15.3 1.0 ND2 A:ASN38 4.4 18.0 1.0 CE1 A:HIS23 4.5 12.8 1.0 CD2 A:LEU26 4.6 17.4 1.0 OD1 A:ASN38 4.9 16.7 1.0 CG A:LEU26 4.9 14.6 1.0 N A:HIS42 4.9 13.4 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of the Zinc-Dependent Marr Family Transcriptional Regulator Adcr in the Zn(II)-Bound State


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 the Zinc-Dependent Marr Family Transcriptional Regulator Adcr in the Zn(II)-Bound State within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn148 b:16.7 occ:1.00 OE1 A:GLU107 2.0 13.8 1.0 OE1 A:GLU41 2.0 14.1 1.0 O A:HOH150 2.1 12.6 1.0 SG A:CYS30 2.3 18.1 1.0 CD A:GLU41 2.8 16.1 1.0 CD A:GLU107 2.8 14.8 1.0 OE2 A:GLU41 2.9 19.0 1.0 OE2 A:GLU107 3.1 13.4 1.0 CB A:CYS30 3.2 17.7 1.0 CA A:CYS30 3.9 18.1 1.0 O A:HOH171 3.9 18.6 1.0 O A:HOH166 4.0 29.6 1.0 CB A:SER32 4.0 22.7 1.0 ND1 A:HIS111 4.2 15.5 1.0 CG A:GLU41 4.2 15.0 1.0 CG A:GLU107 4.2 15.9 1.0 ND1 A:HIS108 4.2 12.2 1.0 N A:SER32 4.4 19.2 1.0 N A:THR31 4.4 17.3 1.0 C A:CYS30 4.5 17.9 1.0 CA A:HIS108 4.5 10.2 1.0 N A:HIS108 4.6 9.9 1.0 O A:HOH161 4.6 38.0 1.0 CB A:HIS108 4.7 11.0 1.0 CB A:GLU41 4.7 12.4 1.0 CB A:GLU107 4.8 13.8 1.0 CA A:SER32 4.9 23.1 1.0 C A:GLU107 4.9 12.4 1.0 CG A:HIS108 4.9 8.9 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of the Zinc-Dependent Marr Family Transcriptional Regulator Adcr in the Zn(II)-Bound State


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of the Zinc-Dependent Marr Family Transcriptional Regulator Adcr in the Zn(II)-Bound State within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn147 b:18.4 occ:1.00 OE1 B:GLU24 2.0 17.5 1.0 ND1 B:HIS42 2.0 19.5 1.0 NE2 B:HIS108 2.0 14.3 1.0 NE2 B:HIS112 2.0 18.1 1.0 CD B:GLU24 2.6 16.7 1.0 OE2 B:GLU24 2.6 16.8 1.0 CE1 B:HIS42 2.9 20.2 1.0 CE1 B:HIS112 2.9 20.4 1.0 CE1 B:HIS108 2.9 15.1 1.0 CD2 B:HIS108 3.1 15.8 1.0 CG B:HIS42 3.1 19.3 1.0 CD2 B:HIS112 3.1 18.2 1.0 CB B:HIS42 3.6 19.1 1.0 ND1 B:HIS108 4.0 16.0 1.0 NE2 B:HIS42 4.1 22.9 1.0 ND1 B:HIS112 4.1 21.5 1.0 CG B:GLU24 4.1 17.5 1.0 CG B:HIS108 4.1 16.2 1.0 CD1 B:LEU26 4.2 15.8 1.0 CD2 B:HIS42 4.2 21.8 1.0 CG B:HIS112 4.2 18.3 1.0 CA B:HIS42 4.2 17.2 1.0 CE B:MET45 4.5 17.6 1.0 ND2 B:ASN38 4.5 20.1 1.0 CD2 B:LEU26 4.7 18.5 1.0 OD1 B:ASN38 4.8 16.7 1.0 CG B:LEU26 4.8 15.0 1.0 CE1 B:HIS23 4.9 35.0 1.0 N B:HIS42 4.9 14.4 1.0 NE2 B:HIS23 5.0 34.2 1.0 O B:HOH176 5.0 30.8 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of the Zinc-Dependent Marr Family Transcriptional Regulator Adcr in the Zn(II)-Bound State


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of the Zinc-Dependent Marr Family Transcriptional Regulator Adcr in the Zn(II)-Bound State within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn148 b:21.0 occ:1.00 OE1 B:GLU107 2.0 17.3 1.0 OE1 B:GLU41 2.0 19.5 1.0 O B:HOH149 2.1 14.8 1.0 SG B:CYS30 2.2 22.0 1.0 CD B:GLU107 2.7 20.1 1.0 CD B:GLU41 2.8 20.7 1.0 OE2 B:GLU41 2.9 19.4 1.0 OE2 B:GLU107 2.9 24.0 1.0 CB B:CYS30 3.3 19.3 1.0 O B:HOH188 3.5 20.5 1.0 OG B:SER32 3.5 28.7 1.0 O B:HOH175 3.7 26.1 1.0 CA B:CYS30 3.9 23.1 1.0 ND1 B:HIS108 4.1 16.0 1.0 CG B:GLU107 4.2 19.8 1.0 CG B:GLU41 4.2 19.8 1.0 ND1 B:HIS111 4.2 13.3 1.0 CA B:HIS108 4.3 16.2 1.0 N B:THR31 4.4 27.7 1.0 N B:HIS108 4.4 15.4 1.0 CB B:SER32 4.5 25.9 1.0 O B:HOH178 4.5 28.0 1.0 CB B:HIS108 4.5 16.7 1.0 C B:CYS30 4.6 26.1 1.0 N B:SER32 4.7 25.5 1.0 C B:GLU107 4.7 19.6 1.0 CB B:GLU41 4.7 16.2 1.0 CB B:GLU107 4.8 19.6 1.0 CG B:HIS108 4.8 16.2 1.0 O B:GLU107 4.9 20.2 1.0

A.J.Guerra, C.E.Dann, D.P.Giedroc. Crystal Structure of the Zinc-Dependent Marr Family Transcriptional Regulator Adcr in the Zn(II)-Bound State. J.Am.Chem.Soc. V. 133 19614 2011.
ISSN: ISSN 0002-7863
PubMed: 22085181
DOI: 10.1021/JA2080532