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Fluorine in PDB 2jcm: Crystal Structure of Human Cytosolic 5'-Nucleotidase II in Complex with Beryllium Trifluoride

Enzymatic activity of Crystal Structure of Human Cytosolic 5'-Nucleotidase II in Complex with Beryllium Trifluoride

All present enzymatic activity of Crystal Structure of Human Cytosolic 5'-Nucleotidase II in Complex with Beryllium Trifluoride:
3.1.3.5;

Protein crystallography data

The structure of Crystal Structure of Human Cytosolic 5'-Nucleotidase II in Complex with Beryllium Trifluoride, PDB code: 2jcm was solved by K.Wallden, P.Stenmark, C.Arrowsmith, H.Berglund, R.Busam, R.Collins, A.Edwards, M.Ehn, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, B.M.Hallberg, L.Holmberg Schiavone, M.Hogbom, T.Karlberg, T.Kotenyova, A.Magnusdottir, P.Nilsson-Ehle, T.Nyman, D.Ogg, C.Persson, J.Sagemark, M.Sundstrom, J.Uppenberg, A.G.Thorsell, S.Van Den Berg, P.Loppnau, J.Weigelt, M.Welin, P.Nordlund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.67 / 2.15
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 91.480, 128.260, 131.010, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 26.6

Other elements in 2jcm:

The structure of Crystal Structure of Human Cytosolic 5'-Nucleotidase II in Complex with Beryllium Trifluoride also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Cytosolic 5'-Nucleotidase II in Complex with Beryllium Trifluoride (pdb code 2jcm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Human Cytosolic 5'-Nucleotidase II in Complex with Beryllium Trifluoride, PDB code: 2jcm:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 2jcm

Go back to Fluorine Binding Sites List in 2jcm
Fluorine binding site 1 out of 3 in the Crystal Structure of Human Cytosolic 5'-Nucleotidase II in Complex with Beryllium Trifluoride


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 Cytosolic 5'-Nucleotidase II in Complex with Beryllium Trifluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F52

b:2.0
occ:1.00
F1 A:BFD52 0.0 2.0 1.0
BE A:BFD52 1.4 6.1 1.0
F2 A:BFD52 2.3 3.6 1.0
OD1 A:BFD52 2.3 2.0 1.0
F3 A:BFD52 2.3 2.0 1.0
O A:HOH2150 2.7 10.0 1.0
NZ A:LYS292 3.0 2.0 1.0
N A:ASN250 3.0 6.5 1.0
O A:HOH2030 3.2 17.4 1.0
CG A:BFD52 3.5 5.1 1.0
CB A:ASN250 3.6 6.3 1.0
CE A:LYS292 3.6 3.0 1.0
O A:HOH2220 3.8 12.1 1.0
OG1 A:THR249 3.8 5.6 1.0
MG A:MG1490 3.9 10.4 1.0
CA A:ASN250 3.9 6.1 1.0
CA A:THR249 3.9 6.3 1.0
C A:THR249 3.9 5.8 1.0
OD2 A:BFD52 4.0 5.7 1.0
CG A:ASN250 4.0 7.8 1.0
CB A:THR249 4.5 4.6 1.0
OD2 A:ASP54 4.5 6.5 1.0
OD1 A:ASN250 4.5 9.8 1.0
ND2 A:ASN250 4.6 4.2 1.0
O A:ALA248 4.6 6.1 1.0
O A:HOH2053 4.7 7.8 1.0
CB A:BFD52 4.7 5.1 1.0
N A:MET53 4.7 4.8 1.0
O A:HOH2219 4.7 8.7 1.0
N A:ASP54 4.8 3.9 1.0
OD1 A:ASP356 4.8 2.5 1.0
N A:SER251 4.9 5.5 0.5
N A:SER251 4.9 5.9 0.5
C A:ASN250 4.9 6.3 1.0
O A:HOH2216 5.0 4.2 1.0

Fluorine binding site 2 out of 3 in 2jcm

Go back to Fluorine Binding Sites List in 2jcm
Fluorine binding site 2 out of 3 in the Crystal Structure of Human Cytosolic 5'-Nucleotidase II in Complex with Beryllium Trifluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Cytosolic 5'-Nucleotidase II in Complex with Beryllium Trifluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F52

b:3.6
occ:1.00
F2 A:BFD52 0.0 3.6 1.0
BE A:BFD52 1.4 6.1 1.0
MG A:MG1490 1.9 10.4 1.0
F1 A:BFD52 2.3 2.0 1.0
F3 A:BFD52 2.4 2.0 1.0
OD1 A:BFD52 2.5 2.0 1.0
OD2 A:BFD52 2.7 5.7 1.0
O A:HOH2220 3.0 12.1 1.0
CG A:BFD52 3.0 5.1 1.0
O A:HOH2216 3.1 4.2 1.0
O A:ASP54 3.2 5.3 1.0
N A:ASP54 3.3 3.9 1.0
O A:HOH2150 3.3 10.0 1.0
O A:HOH2030 3.3 17.4 1.0
CB A:ASP54 3.4 4.7 1.0
CA A:ASP54 3.6 4.7 1.0
OD2 A:ASP54 3.7 6.5 1.0
C A:ASP54 3.8 5.2 1.0
O A:HOH2053 4.0 7.8 1.0
CG A:ASP54 4.0 6.0 1.0
OD1 A:ASP351 4.1 7.5 1.0
N A:MET53 4.3 4.8 1.0
C A:MET53 4.3 3.9 1.0
CB A:BFD52 4.5 5.1 1.0
NZ A:LYS292 4.5 2.0 1.0
OG1 A:THR249 4.7 5.6 1.0
CA A:MET53 4.8 4.1 1.0
N A:ASN250 5.0 6.5 1.0

Fluorine binding site 3 out of 3 in 2jcm

Go back to Fluorine Binding Sites List in 2jcm
Fluorine binding site 3 out of 3 in the Crystal Structure of Human Cytosolic 5'-Nucleotidase II in Complex with Beryllium Trifluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human Cytosolic 5'-Nucleotidase II in Complex with Beryllium Trifluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F52

b:2.0
occ:1.00
F3 A:BFD52 0.0 2.0 1.0
BE A:BFD52 1.4 6.1 1.0
F1 A:BFD52 2.3 2.0 1.0
F2 A:BFD52 2.4 3.6 1.0
OD1 A:BFD52 2.4 2.0 1.0
OG1 A:THR249 2.6 5.6 1.0
N A:ASP54 2.9 3.9 1.0
N A:MET53 2.9 4.8 1.0
OD2 A:ASP54 3.1 6.5 1.0
CG A:BFD52 3.2 5.1 1.0
CB A:THR249 3.3 4.6 1.0
CA A:MET53 3.4 4.1 1.0
CB A:MET53 3.5 3.8 1.0
C A:MET53 3.6 3.9 1.0
O A:HOH2030 3.6 17.4 1.0
CA A:THR249 3.6 6.3 1.0
OD2 A:BFD52 3.6 5.7 1.0
N A:ASN250 3.8 6.5 1.0
CG A:ASP54 4.0 6.0 1.0
C A:BFD52 4.0 4.6 1.0
CA A:ASP54 4.0 4.7 1.0
CB A:ASP54 4.0 4.7 1.0
MG A:MG1490 4.1 10.4 1.0
C A:THR249 4.2 5.8 1.0
CA A:BFD52 4.3 5.3 1.0
CB A:BFD52 4.3 5.1 1.0
NZ A:LYS292 4.6 2.0 1.0
O A:ASP54 4.6 5.3 1.0
O A:ALA248 4.6 6.1 1.0
O A:MET53 4.7 5.6 1.0
CG2 A:THR249 4.7 6.0 1.0
CG A:MET53 4.8 5.9 1.0
C A:ASP54 4.8 5.2 1.0
O A:HOH2150 4.8 10.0 1.0
N A:SER251 4.8 5.5 0.5
N A:THR249 4.8 5.2 1.0
N A:SER251 4.8 5.9 0.5
O A:HOH2220 4.9 12.1 1.0
CA A:ASN250 4.9 6.1 1.0

Reference:

K.Wallden, P.Stenmark, T.Nyman, S.Flodin, S.Graslund, P.Loppnau, V.Bianchi, P.Nordlund. Crystal Structure of Human Cytosolic 5'- Nucleotidase II: Insights Into Allosteric Regulation and Substrate Recognition J.Biol.Chem. V. 282 17828 2007.
ISSN: ISSN 0021-9258
PubMed: 17405878
DOI: 10.1074/JBC.M700917200
Page generated: Sun Dec 13 11:37:33 2020

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