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Chlorine in PDB 6qya: Crystal Structure of Enteroccocus Faecalis Thymidylate Synthase (Efts) in Complex with Dump

Enzymatic activity of Crystal Structure of Enteroccocus Faecalis Thymidylate Synthase (Efts) in Complex with Dump

All present enzymatic activity of Crystal Structure of Enteroccocus Faecalis Thymidylate Synthase (Efts) in Complex with Dump:
2.1.1.45;

Protein crystallography data

The structure of Crystal Structure of Enteroccocus Faecalis Thymidylate Synthase (Efts) in Complex with Dump, PDB code: 6qya was solved by C.Pozzi, M.Mangani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 68.07 / 1.76
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 73.160, 95.101, 97.409, 90.00, 93.63, 90.00
R / Rfree (%) 18.4 / 22

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Enteroccocus Faecalis Thymidylate Synthase (Efts) in Complex with Dump (pdb code 6qya). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Enteroccocus Faecalis Thymidylate Synthase (Efts) in Complex with Dump, PDB code: 6qya:

Chlorine binding site 1 out of 1 in 6qya

Go back to Chlorine Binding Sites List in 6qya
Chlorine binding site 1 out of 1 in the Crystal Structure of Enteroccocus Faecalis Thymidylate Synthase (Efts) in Complex with Dump


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Enteroccocus Faecalis Thymidylate Synthase (Efts) in Complex with Dump within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl406

b:46.2
occ:1.00
OG1 D:THR308 3.6 15.0 1.0
N D:THR308 3.6 14.4 1.0
CB D:THR308 4.1 15.7 1.0
NE D:ARG50 4.1 23.4 1.0
CA D:PRO307 4.1 17.5 1.0
CB D:PRO307 4.2 17.8 1.0
CD D:ARG50 4.3 18.9 1.0
C D:PRO307 4.4 15.8 1.0
CA D:THR308 4.5 14.7 1.0
O D:HOH528 4.6 40.2 1.0
CB D:ARG50 4.9 15.0 1.0

Reference:

C.Pozzi, S.Ferrari, R.Luciani, G.Tassone, M.P.Costi, S.Mangani. Structural Comparison Ofenterococcus Faecalisand Human Thymidylate Synthase Complexes with the Substrate Dump and Its Analogue Fdump Provides Hints About Enzyme Conformational Variabilities. Molecules V. 24 2019.
ISSN: ESSN 1420-3049
PubMed: 30935102
DOI: 10.3390/MOLECULES24071257
Page generated: Sat Jul 12 19:10:55 2025

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