Zinc in PDB 1b1b: Iron Dependent Regulator

The structure of Iron Dependent Regulator, PDB code: 1b1b was solved by E.Pohl, R.K.Holmes, W.G.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.60
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	92.600, 92.600, 63.200, 90.00, 90.00, 120.00
R / Rfree (%)	28 / 36

The binding sites of Zinc atom in the Iron Dependent Regulator (pdb code 1b1b). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Iron Dependent Regulator, PDB code: 1b1b:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Iron Dependent Regulator


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Iron Dependent Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:40.3 occ:1.00 OE2 A:GLU83 1.8 37.3 1.0 ND1 A:HIS98 2.1 16.9 1.0 H1 A:HOH425 2.1 0.0 1.0 NE2 A:HIS79 2.7 34.2 1.0 O3 A:SO4303 2.8 27.7 0.5 CD A:GLU83 3.0 44.5 1.0 O A:HOH425 3.0 37.4 1.0 CE1 A:HIS98 3.0 17.6 1.0 CG A:HIS98 3.2 20.1 1.0 H2 A:HOH425 3.2 0.0 1.0 H1 A:HOH408 3.4 0.0 1.0 O A:HOH408 3.5 16.8 1.0 OE1 A:GLU83 3.6 51.7 1.0 CB A:HIS98 3.6 19.6 1.0 CE1 A:HIS79 3.6 31.9 1.0 CD2 A:HIS79 3.7 27.1 1.0 CA A:HIS98 3.8 26.9 1.0 S A:SO4303 3.9 25.5 0.5 O2 A:SO4303 4.0 22.8 0.5 CG A:GLU83 4.1 45.1 1.0 NE2 A:HIS98 4.2 18.5 1.0 H2 A:HOH408 4.2 0.0 1.0 CD2 A:HIS98 4.3 19.4 1.0 O A:HIS98 4.5 28.9 1.0 C A:HIS98 4.6 30.0 1.0 O4 A:SO4303 4.7 27.9 0.5 ND1 A:HIS79 4.8 26.6 1.0 CG A:HIS79 4.8 28.2 1.0 N A:HIS98 4.8 28.9 1.0 HD22 A:ASN130 4.9 0.0 1.0

Zinc binding site 2 out of 2 in the Iron Dependent Regulator


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Iron Dependent Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:39.8 occ:1.00 OE2 A:GLU105 1.8 7.8 1.0 O A:CYS102 2.0 48.1 1.0 NE2 A:HIS106 2.4 30.4 1.0 SD A:MET10 2.7 42.4 1.0 CD A:GLU105 3.0 13.8 1.0 C A:CYS102 3.1 44.7 1.0 CD2 A:HIS106 3.2 23.0 1.0 SG A:CYS102 3.5 39.6 1.0 CE1 A:HIS106 3.5 24.8 1.0 O A:GLU3 3.6 92.6 1.0 CG A:GLU105 3.6 19.2 1.0 CA A:CYS102 3.7 43.3 1.0 CE A:MET10 4.0 33.6 1.0 OE1 A:GLU105 4.0 10.0 1.0 CB A:CYS102 4.1 44.7 1.0 CG A:MET10 4.1 44.3 1.0 N A:ARG103 4.2 36.8 1.0 CG A:HIS106 4.4 20.0 1.0 ND1 A:HIS106 4.5 24.6 1.0 H A:VAL5 4.6 0.0 1.0 HH21 A:ARG13 4.6 0.0 1.0 CA A:ARG103 4.6 29.9 1.0 C A:GLU3 4.7 94.0 1.0 CA A:LEU4 4.8 88.8 1.0 NH2 A:ARG13 4.8 50.4 1.0

E.Pohl, R.K.Holmes, W.G.Hol. Crystal Structure of the Iron-Dependent Regulator (Ider) From Mycobacterium Tuberculosis Shows Both Metal Binding Sites Fully Occupied. J.Mol.Biol. V. 285 1145 1999.
ISSN: ISSN 0022-2836
PubMed: 9887269
DOI: 10.1006/JMBI.1998.2339