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Chlorine in PDB 2c4t: X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine

Enzymatic activity of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine

All present enzymatic activity of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine:
2.5.1.63;

Protein crystallography data

The structure of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine, PDB code: 2c4t was solved by A.R.Mcewan, H.Deng, R.P.Mcglinchey, D.R.Robinson, D.O'hagan, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 91.29 / 2.30
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 76.319, 129.505, 182.845, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 23.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine (pdb code 2c4t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine, PDB code: 2c4t:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 2c4t

Go back to Chlorine Binding Sites List in 2c4t
Chlorine binding site 1 out of 6 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1300

b:48.3
occ:1.00
NZ A:LYS289 3.4 45.0 1.0
CD2 A:HIS287 3.6 34.8 1.0
O A:HOH2132 4.2 36.3 1.0
NE2 A:HIS287 4.4 35.2 1.0
CE A:LYS289 4.5 42.2 1.0
CG A:HIS287 4.6 34.0 1.0
CB A:HIS287 5.0 33.1 1.0

Chlorine binding site 2 out of 6 in 2c4t

Go back to Chlorine Binding Sites List in 2c4t
Chlorine binding site 2 out of 6 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1301

b:43.5
occ:1.00
CD1 A:PHE173 4.3 28.5 1.0
CE1 A:PHE173 4.7 28.9 1.0

Chlorine binding site 3 out of 6 in 2c4t

Go back to Chlorine Binding Sites List in 2c4t
Chlorine binding site 3 out of 6 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1302

b:45.4
occ:1.00
CZ3 A:TRP50 3.9 27.9 1.0
CB B:SER281 4.3 26.6 1.0
O B:HOH2127 4.5 20.3 1.0
CH2 A:TRP50 4.5 27.4 1.0
CE3 A:TRP50 4.5 25.9 1.0
O B:PRO212 4.7 30.4 1.0
O B:PHE213 4.7 28.5 1.0
CD2 B:TYR284 4.8 27.9 1.0
CD A:PRO49 4.8 29.6 1.0
CG A:PRO49 4.9 29.3 1.0
N B:SER281 4.9 26.9 1.0
CG2 A:THR48 4.9 29.9 1.0

Chlorine binding site 4 out of 6 in 2c4t

Go back to Chlorine Binding Sites List in 2c4t
Chlorine binding site 4 out of 6 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1299

b:45.8
occ:1.00
NZ B:LYS289 3.3 35.9 1.0
CD2 B:HIS287 3.3 30.6 1.0
O B:HOH2129 3.8 39.2 1.0
NE2 B:HIS287 4.1 30.1 1.0
CG B:HIS287 4.4 29.5 1.0
CE B:LYS289 4.6 37.0 1.0
CB B:HIS287 4.9 29.1 1.0

Chlorine binding site 5 out of 6 in 2c4t

Go back to Chlorine Binding Sites List in 2c4t
Chlorine binding site 5 out of 6 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1301

b:50.0
occ:1.00
O C:THR82 3.6 26.2 1.0
OH C:TYR157 3.8 25.2 1.0
C C:THR82 3.9 26.0 1.0
NH2 C:ARG85 4.0 32.2 1.0
N C:THR83 4.1 26.4 1.0
CA C:THR83 4.1 26.7 1.0
O C:GLY81 4.2 25.6 1.0
CG2 C:THR83 4.3 26.0 1.0
NH1 C:ARG85 4.3 32.2 1.0
CZ C:ARG85 4.7 31.9 1.0
CA C:THR82 4.7 25.7 1.0
C C:GLY81 4.7 25.4 1.0
CB C:THR83 4.8 26.8 1.0
O C:HOH2075 4.9 29.1 1.0

Chlorine binding site 6 out of 6 in 2c4t

Go back to Chlorine Binding Sites List in 2c4t
Chlorine binding site 6 out of 6 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase From Streptomyces Cattleya Complexed with An Inhibitor, An Analogue of S- Adenosyl Methionine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1302

b:54.3
occ:1.00
CD2 C:HIS287 3.4 32.7 1.0
CE C:LYS289 4.1 36.9 1.0
NE2 C:HIS287 4.2 34.1 1.0
NZ C:LYS289 4.3 38.7 1.0
CG C:HIS287 4.4 32.8 1.0
CB C:HIS287 4.8 31.4 1.0

Reference:

A.R.Mcewan, H.Deng, R.P.Mcglinchey, D.R.Robinson, D.O'hagan, J.H.Naismith. Substrates and Inhibitors of the Fluorinase From Streptomyces Cattleya To Be Published.
Page generated: Sat Dec 12 09:01:44 2020

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