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Nickel in PDB 3sai: Bacuills Anthracis Dihydrofolate Reductase Bound to Propargyl-Linked Tmp Analog, UCP1015

Enzymatic activity of Bacuills Anthracis Dihydrofolate Reductase Bound to Propargyl-Linked Tmp Analog, UCP1015

All present enzymatic activity of Bacuills Anthracis Dihydrofolate Reductase Bound to Propargyl-Linked Tmp Analog, UCP1015:
1.5.1.3;

Protein crystallography data

The structure of Bacuills Anthracis Dihydrofolate Reductase Bound to Propargyl-Linked Tmp Analog, UCP1015, PDB code: 3sai was solved by A.C.Anderson, J.M.Beierlein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.56 / 2.25
Space group P 42
Cell size a, b, c (Å), α, β, γ (°) 77.880, 77.880, 67.060, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / 25.3

Nickel Binding Sites:

The binding sites of Nickel atom in the Bacuills Anthracis Dihydrofolate Reductase Bound to Propargyl-Linked Tmp Analog, UCP1015 (pdb code 3sai). 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 Bacuills Anthracis Dihydrofolate Reductase Bound to Propargyl-Linked Tmp Analog, UCP1015, PDB code: 3sai:

Nickel binding site 1 out of 1 in 3sai

Go back to Nickel Binding Sites List in 3sai
Nickel binding site 1 out of 1 in the Bacuills Anthracis Dihydrofolate Reductase Bound to Propargyl-Linked Tmp Analog, UCP1015


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Bacuills Anthracis Dihydrofolate Reductase Bound to Propargyl-Linked Tmp Analog, UCP1015 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni166

b:86.1
occ:1.00
O A:THR145 3.2 28.4 1.0
CB A:ASP146 3.9 29.0 1.0
CA A:ASP146 4.2 29.3 1.0
C A:THR145 4.3 28.1 1.0
O A:HOH238 4.5 33.6 1.0
N A:ASP146 4.7 28.6 1.0
CD1 A:LEU144 4.9 25.6 1.0

Reference:

A.C.Anderson, J.M.Beierlein, K.Viswanathan, D.L.Wright. Sar Studies of Heterocyclic Propargyl-Linked Tmp Analogs Targeting Bacillus Dihydrofolate Reductase To Be Published.
Page generated: Fri Sep 25 08:33:53 2020
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