Atomistry » Fluorine » PDB 5lz5-5msa » 5m12
Atomistry »
  Fluorine »
    PDB 5lz5-5msa »
      5m12 »

Fluorine in PDB 5m12: Structure of GH36 Alpha-Galactosidase From Thermotoga Maritima in Complex with Intact Cyclopropyl-Carbasugar.

Enzymatic activity of Structure of GH36 Alpha-Galactosidase From Thermotoga Maritima in Complex with Intact Cyclopropyl-Carbasugar.

All present enzymatic activity of Structure of GH36 Alpha-Galactosidase From Thermotoga Maritima in Complex with Intact Cyclopropyl-Carbasugar.:
3.2.1.22;

Protein crystallography data

The structure of Structure of GH36 Alpha-Galactosidase From Thermotoga Maritima in Complex with Intact Cyclopropyl-Carbasugar., PDB code: 5m12 was solved by R.Pengelly, T.Gloster, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.69 / 1.53
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 68.150, 96.040, 98.120, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 22.2

Other elements in 5m12:

The structure of Structure of GH36 Alpha-Galactosidase From Thermotoga Maritima in Complex with Intact Cyclopropyl-Carbasugar. also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of GH36 Alpha-Galactosidase From Thermotoga Maritima in Complex with Intact Cyclopropyl-Carbasugar. (pdb code 5m12). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of GH36 Alpha-Galactosidase From Thermotoga Maritima in Complex with Intact Cyclopropyl-Carbasugar., PDB code: 5m12:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 5m12

Go back to Fluorine Binding Sites List in 5m12
Fluorine binding site 1 out of 2 in the Structure of GH36 Alpha-Galactosidase From Thermotoga Maritima in Complex with Intact Cyclopropyl-Carbasugar.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of GH36 Alpha-Galactosidase From Thermotoga Maritima in Complex with Intact Cyclopropyl-Carbasugar. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F604

b:63.0
occ:1.00
 FAE A:7D0604 0.0 63.0 1.0
CAP A:7D0604 1.3 64.4 1.0
CAN A:7D0604 2.4 53.7 1.0
CAO A:7D0604 2.4 53.6 1.0
CH2 A:TRP85 3.1 25.2 1.0
CZ2 A:TRP85 3.3 22.1 1.0
OD1 A:ASN290 3.3 19.1 1.0
ND2 A:ASN290 3.5 18.8 1.0
CG A:ASN290 3.6 17.1 1.0
CAM A:7D0604 3.6 40.7 1.0
CAS A:7D0604 3.7 50.9 1.0
CZ A:PHE328 4.0 16.2 1.0
CE2 A:PHE328 4.1 18.2 1.0
CZ3 A:TRP85 4.1 24.1 1.0
CAR A:7D0604 4.2 41.8 1.0
CE2 A:TRP85 4.5 24.7 1.0
CB A:ASN290 4.6 16.6 1.0
OAL A:7D0604 4.7 30.0 1.0
FAF A:7D0604 4.9 53.0 1.0

Fluorine binding site 2 out of 2 in 5m12

Go back to Fluorine Binding Sites List in 5m12
Fluorine binding site 2 out of 2 in the Structure of GH36 Alpha-Galactosidase From Thermotoga Maritima in Complex with Intact Cyclopropyl-Carbasugar.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of GH36 Alpha-Galactosidase From Thermotoga Maritima in Complex with Intact Cyclopropyl-Carbasugar. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F604

b:53.0
occ:1.00
 FAF A:7D0604 0.0 53.0 1.0
CAS A:7D0604 1.5 50.9 1.0
CAO A:7D0604 2.5 53.6 1.0
CAR A:7D0604 2.5 41.8 1.0
CE3 A:TRP65 3.0 20.7 1.0
CD2 A:TRP65 3.3 18.0 1.0
O A:HOH903 3.3 25.0 1.0
CZ3 A:TRP65 3.5 21.3 1.0
CG A:TRP65 3.7 16.3 1.0
CAP A:7D0604 3.8 64.4 1.0
CAM A:7D0604 3.8 40.7 1.0
CB A:TRP65 4.0 16.8 1.0
CE2 A:TRP65 4.1 19.3 1.0
O A:GLY400 4.1 44.8 1.0
CH2 A:TRP65 4.3 21.2 1.0
CAN A:7D0604 4.3 53.7 1.0
CZ2 A:TRP65 4.5 19.9 1.0
CD1 A:TRP65 4.6 16.1 1.0
O A:HOH1036 4.7 36.0 1.0
NE1 A:TRP65 4.8 19.8 1.0
FAE A:7D0604 4.9 63.0 1.0
OAL A:7D0604 4.9 30.0 1.0

Reference:

C.Adamson, R.J.Pengelly, S.Shamsi Kazem Abadi, S.Chakladar, J.Draper, R.Britton, T.M.Gloster, A.J.Bennet. Structural Snapshots For Mechanism-Based Inactivation of A Glycoside Hydrolase By Cyclopropyl Carbasugars. Angew.Chem.Int.Ed.Engl. V. 55 14978 2016.
ISSN: ESSN 1521-3773
PubMed: 27783466
DOI: 10.1002/ANIE.201607431
Page generated: Thu Aug 1 11:37:10 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy