Nickel in PDB 3ht1: 1.2A Structure of the Polyketide Cyclase Remf From Streptomyces Resistomycificus

The structure of 1.2A Structure of the Polyketide Cyclase Remf From Streptomyces Resistomycificus, PDB code: 3ht1 was solved by L.Silvennoinen, T.Sandalova, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.20
Space group	P 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	34.471, 47.907, 96.946, 90.00, 90.00, 90.00
R / Rfree (%)	12.9 / 17

The binding sites of Nickel atom in the 1.2A Structure of the Polyketide Cyclase Remf From Streptomyces Resistomycificus (pdb code 3ht1). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the 1.2A Structure of the Polyketide Cyclase Remf From Streptomyces Resistomycificus, PDB code: 3ht1:

Nickel binding site 1 out of 1 in the 1.2A Structure of the Polyketide Cyclase Remf From Streptomyces Resistomycificus


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of 1.2A Structure of the Polyketide Cyclase Remf From Streptomyces Resistomycificus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni151 b:8.0 occ:1.00 NE2 A:HIS59 2.1 8.2 1.0 NE2 A:HIS95 2.1 7.3 1.0 NE2 A:HIS53 2.1 7.5 1.0 NE2 A:HIS55 2.1 8.0 1.0 O A:HOH1029 2.1 9.4 1.0 O A:HOH1196 2.1 10.4 1.0 CE1 A:HIS95 3.0 7.4 1.0 CE1 A:HIS59 3.0 8.5 1.0 CD2 A:HIS53 3.1 8.2 1.0 CE1 A:HIS53 3.1 8.2 1.0 CE1 A:HIS55 3.1 8.5 1.0 CD2 A:HIS59 3.1 8.1 1.0 CD2 A:HIS95 3.1 7.5 1.0 CD2 A:HIS55 3.1 8.2 1.0 O A:HOH1194 3.9 14.8 1.0 ND1 A:HIS59 4.2 9.7 1.0 ND1 A:HIS95 4.2 7.6 1.0 ND1 A:HIS53 4.2 9.1 1.0 ND1 A:HIS55 4.2 8.5 1.0 CG A:HIS95 4.3 7.4 1.0 CG A:HIS53 4.3 7.8 1.0 CG A:HIS59 4.3 8.7 1.0 CG A:HIS55 4.3 7.7 1.0 O A:HOH1005 4.4 26.8 1.0 O A:HOH1006 4.5 37.0 1.0 O A:HOH1100 4.7 32.2 1.0 O A:HOH1003 4.8 30.7 1.0 CH2 A:TRP57 4.9 15.0 1.0

L.Silvennoinen, T.Sandalova, G.Schneider. The Polyketide Cyclase Remf From Streptomyces Resistomycificus Contains An Unusual Octahedral Zinc Binding Site Febs Lett. V. 583 2917 2009.
ISSN: ISSN 0014-5793
PubMed: 19665022
DOI: 10.1016/J.FEBSLET.2009.07.061