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Fluorine in PDB 2a7q: Crystal Structure of Human Dck Complexed with Clofarabine and Adp

Enzymatic activity of Crystal Structure of Human Dck Complexed with Clofarabine and Adp

All present enzymatic activity of Crystal Structure of Human Dck Complexed with Clofarabine and Adp:
2.7.1.74;

Protein crystallography data

The structure of Crystal Structure of Human Dck Complexed with Clofarabine and Adp, PDB code: 2a7q was solved by Y.Zhang, J.A.Secrist Iii, S.E.Ealick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.49 / 2.55
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.145, 80.145, 93.669, 90.00, 90.00, 90.00
R / Rfree (%) 21.3 / 24.6

Other elements in 2a7q:

The structure of Crystal Structure of Human Dck Complexed with Clofarabine and Adp also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Dck Complexed with Clofarabine and Adp (pdb code 2a7q). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Human Dck Complexed with Clofarabine and Adp, PDB code: 2a7q:

Fluorine binding site 1 out of 1 in 2a7q

Go back to Fluorine Binding Sites List in 2a7q
Fluorine binding site 1 out of 1 in the Crystal Structure of Human Dck Complexed with Clofarabine and Adp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Dck Complexed with Clofarabine and Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F328

b:63.7
occ:1.00
 F A:CFB328 0.0 63.7 1.0
C2' A:CFB328 1.4 62.6 1.0
C3' A:CFB328 2.4 63.3 1.0
C1' A:CFB328 2.5 62.8 1.0
N9 A:CFB328 2.9 63.6 1.0
O5' A:CFB328 2.9 66.0 1.0
O4' A:CFB328 2.9 62.1 1.0
C4' A:CFB328 3.1 62.8 1.0
NH1 A:ARG128 3.2 52.5 1.0
C8 A:CFB328 3.3 62.7 1.0
CG1 A:ILE30 3.3 53.9 1.0
C5' A:CFB328 3.6 64.4 1.0
NH2 A:ARG128 3.6 54.9 1.0
O3' A:CFB328 3.6 65.2 1.0
O A:HOH335 3.6 61.0 1.0
CZ A:ARG128 3.7 53.2 1.0
CZ A:PHE137 3.7 48.8 1.0
CE2 A:PHE137 3.8 47.8 1.0
C4 A:CFB328 3.8 64.8 1.0
CD1 A:ILE30 3.9 53.4 1.0
CB A:ILE30 4.3 53.9 1.0
N7 A:CFB328 4.3 62.4 1.0
O A:HOH368 4.4 57.7 1.0
CG2 A:ILE30 4.4 52.2 1.0
N3 A:CFB328 4.5 69.0 1.0
CA A:ILE30 4.5 54.8 1.0
OH A:TYR86 4.6 65.7 1.0
C5 A:CFB328 4.6 65.2 1.0
OE1 A:GLU53 4.8 71.6 1.0
NE A:ARG128 4.8 55.9 1.0
CE1 A:PHE137 4.8 48.3 1.0
CD2 A:PHE137 4.9 51.2 1.0
OE2 A:GLU53 4.9 68.6 1.0

Reference:

Y.Zhang, J.A.Secrist, S.E.Ealick. The Structure of Human Deoxycytidine Kinase in Complex with Clofarabine Reveals Key Interactions For Prodrug Activation. Acta Crystallogr.,Sect.D V. 62 133 2006.
ISSN: ISSN 0907-4449
PubMed: 16421443
DOI: 10.1107/S0907444905034293
Page generated: Wed Jul 31 13:43:21 2024

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