Nickel in PDB 3fms: Crystal Structure of TM0439, A Gntr Transcriptional Regulator

The structure of Crystal Structure of TM0439, A Gntr Transcriptional Regulator, PDB code: 3fms was solved by M.Zheng, D.R.Cooper, M.Yu, L.-W.Hung, U.Derewenda, Z.S.Derewenda, Integrated Center For Structure And Function Innovation (Isfi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.16 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	85.188, 71.718, 43.323, 90.00, 104.59, 90.00
R / Rfree (%)	15.7 / 22.8

The binding sites of Nickel atom in the Crystal Structure of TM0439, A Gntr Transcriptional Regulator (pdb code 3fms). 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 Crystal Structure of TM0439, A Gntr Transcriptional Regulator, PDB code: 3fms:

Nickel binding site 1 out of 1 in the Crystal Structure of TM0439, A Gntr Transcriptional Regulator


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of TM0439, A Gntr Transcriptional Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni301 b:32.2 occ:1.00 H1 A:ACT302 1.9 16.4 1.0 NE2 A:HIS134 2.1 26.4 1.0 NE2 A:HIS196 2.1 25.8 1.0 NE2 A:HIS174 2.1 26.9 1.0 H2 A:ACT302 2.2 16.4 1.0 CH3 A:ACT302 2.4 28.5 1.0 CE1 A:HIS196 2.9 30.2 1.0 HE1 A:HIS196 2.9 16.5 1.0 C A:ACT302 3.0 35.3 1.0 CD2 A:HIS134 3.0 22.0 1.0 OD1 A:ASP130 3.0 37.6 1.0 CD2 A:HIS174 3.1 32.9 1.0 CE1 A:HIS134 3.1 29.0 1.0 CE1 A:HIS174 3.1 31.6 1.0 HD2 A:HIS134 3.2 11.0 1.0 HD2 A:HIS174 3.2 18.0 1.0 OXT A:ACT302 3.2 40.0 1.0 CD2 A:HIS196 3.3 35.2 1.0 HE1 A:HIS134 3.3 16.1 1.0 HE1 A:HIS174 3.3 19.7 1.0 H3 A:ACT302 3.4 16.4 1.0 HD2 A:HIS196 3.6 19.2 1.0 O A:ACT302 3.9 40.1 1.0 HH22 A:ARG86 4.0 26.8 1.0 CG A:ASP130 4.0 37.1 1.0 ND1 A:HIS196 4.1 29.4 1.0 ND1 A:HIS134 4.2 30.2 1.0 CG A:HIS134 4.2 25.0 1.0 ND1 A:HIS174 4.2 28.1 1.0 CG A:HIS174 4.2 30.0 1.0 CG A:HIS196 4.3 30.9 1.0 HB3 A:SER170 4.4 15.3 1.0 HG21 A:VAL200 4.5 21.6 1.0 OD2 A:ASP130 4.5 47.1 1.0 HA A:ASP130 4.6 22.5 1.0 HD21 A:LEU197 4.6 19.2 1.0 HD23 A:LEU197 4.6 19.2 1.0 NH2 A:ARG86 4.7 40.6 1.0 HZ A:PHE126 4.7 24.9 1.0 HD23 A:LEU133 4.8 21.7 1.0 HD1 A:HIS196 4.8 18.1 1.0 HD1 A:HIS134 5.0 18.2 1.0

M.Zheng, D.R.Cooper, N.E.Grossoehme, M.Yu, L.W.Hung, M.Cieslik, U.Derewenda, S.A.Lesley, I.A.Wilson, D.P.Giedroc, Z.S.Derewenda. Structure of Thermotoga Maritima TM0439: Implications For the Mechanism of Bacterial Gntr Transcription Regulators with ZN2+-Binding Fcd Domains. Acta Crystallogr.,Sect.D V. 65 356 2009.
ISSN: ISSN 0907-4449
PubMed: 19307717
DOI: 10.1107/S0907444909004727