Atomistry » Fluorine » PDB 3fls-3g70 » 3fuc
Atomistry »
  Fluorine »
    PDB 3fls-3g70 »
      3fuc »

Fluorine in PDB 3fuc: Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit

Enzymatic activity of Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit

All present enzymatic activity of Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit:
2.4.2.1;

Protein crystallography data

The structure of Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit, PDB code: 3fuc was solved by M.Bochtler, K.Breer, A.Bzowska, G.Chojnowski, M.Hashimoto, S.Hikishima, M.Narczyk, B.Wielgus-Kutrowska, T.Yokomatsu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.45
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 135.795, 78.253, 94.901, 90.00, 97.19, 90.00
R / Rfree (%) 18 / 19.9

Other elements in 3fuc:

The structure of Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit also contains other interesting chemical elements:

Magnesium (Mg) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit (pdb code 3fuc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit, PDB code: 3fuc:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 3fuc

Go back to Fluorine Binding Sites List in 3fuc
Fluorine binding site 1 out of 6 in the Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:16.4
occ:1.00
F1 A:9D9301 0.0 16.4 1.0
C14 A:9D9301 1.4 14.7 1.0
F2 A:9D9301 2.2 15.1 1.0
C13 A:9D9301 2.4 13.4 1.0
P A:9D9301 2.6 12.1 1.0
O1P A:9D9301 2.9 12.6 1.0
C12 A:9D9301 3.0 14.5 1.0
O2P A:9D9301 3.3 14.0 1.0
O A:HOH555 3.3 44.1 1.0
NE2 A:HIS86 3.4 14.2 1.0
OH A:TYR88 3.5 17.0 1.0
OG A:SER33 3.6 18.7 1.0
O A:HOH556 3.8 26.6 1.0
O3P A:9D9301 3.9 13.6 1.0
CE1 A:HIS86 3.9 13.6 1.0
CD2 A:HIS86 4.1 14.2 1.0
C11 A:9D9301 4.4 14.7 1.0
CZ A:TYR88 4.6 13.9 1.0
CE2 A:TYR88 4.7 13.4 1.0
ND1 A:HIS86 4.8 14.6 1.0
CZ B:PHE159 4.9 12.6 1.0
CG A:HIS86 5.0 12.8 1.0
CB A:SER33 5.0 16.4 1.0

Fluorine binding site 2 out of 6 in 3fuc

Go back to Fluorine Binding Sites List in 3fuc
Fluorine binding site 2 out of 6 in the Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:15.1
occ:1.00
F2 A:9D9301 0.0 15.1 1.0
C14 A:9D9301 1.3 14.7 1.0
F1 A:9D9301 2.2 16.4 1.0
C13 A:9D9301 2.4 13.4 1.0
P A:9D9301 2.6 12.1 1.0
C12 A:9D9301 2.7 14.5 1.0
O3P A:9D9301 2.9 13.6 1.0
NE2 A:HIS86 3.1 14.2 1.0
O1P A:9D9301 3.1 12.6 1.0
CD2 A:HIS86 3.1 14.2 1.0
CE2 A:TYR88 3.8 13.4 1.0
OH A:TYR88 3.8 17.0 1.0
O2P A:9D9301 3.9 14.0 1.0
O A:HOH428 4.0 10.3 1.0
CE1 A:HIS86 4.1 13.6 1.0
CB A:MET219 4.1 9.7 1.0
CB A:SER220 4.2 11.1 1.0
C11 A:9D9301 4.2 14.7 1.0
CG A:HIS86 4.2 12.8 1.0
CZ A:TYR88 4.3 13.9 1.0
OG A:SER220 4.4 11.4 1.0
C A:MET219 4.5 9.3 1.0
O A:MET219 4.5 9.8 1.0
C10 A:9D9301 4.7 11.9 1.0
ND1 A:HIS86 4.7 14.6 1.0
CA A:MET219 4.7 9.3 1.0
N A:SER220 4.7 8.9 1.0
N A:MET219 4.8 8.7 1.0
CD2 A:TYR88 4.9 13.2 1.0

Fluorine binding site 3 out of 6 in 3fuc

Go back to Fluorine Binding Sites List in 3fuc
Fluorine binding site 3 out of 6 in the Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:14.9
occ:1.00
F1 B:9D9301 0.0 14.9 1.0
C14 B:9D9301 1.3 13.5 1.0
F2 B:9D9301 2.2 13.8 1.0
C13 B:9D9301 2.3 12.1 1.0
P B:9D9301 2.6 10.7 1.0
O1P B:9D9301 3.0 12.0 1.0
C12 B:9D9301 3.0 12.4 1.0
O2P B:9D9301 3.2 12.3 1.0
NE2 B:HIS86 3.4 14.4 1.0
O B:HOH619 3.6 25.3 1.0
OG B:SER33 3.6 17.2 1.0
OH B:TYR88 3.6 16.5 1.0
O3P B:9D9301 3.8 12.9 1.0
CE1 B:HIS86 3.9 15.4 1.0
CD2 B:HIS86 4.2 15.2 1.0
C11 B:9D9301 4.4 10.8 1.0
CZ B:TYR88 4.7 12.1 1.0
CE2 B:TYR88 4.8 11.9 1.0
ND1 B:HIS86 4.8 16.3 1.0
CB B:SER33 4.9 14.9 1.0
CZ C:PHE159 5.0 11.2 1.0

Fluorine binding site 4 out of 6 in 3fuc

Go back to Fluorine Binding Sites List in 3fuc
Fluorine binding site 4 out of 6 in the Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:13.8
occ:1.00
F2 B:9D9301 0.0 13.8 1.0
C14 B:9D9301 1.4 13.5 1.0
F1 B:9D9301 2.2 14.9 1.0
C13 B:9D9301 2.4 12.1 1.0
P B:9D9301 2.6 10.7 1.0
C12 B:9D9301 2.8 12.4 1.0
O3P B:9D9301 2.9 12.9 1.0
NE2 B:HIS86 3.0 14.4 1.0
O1P B:9D9301 3.1 12.0 1.0
CD2 B:HIS86 3.2 15.2 1.0
CE2 B:TYR88 3.8 11.9 1.0
OH B:TYR88 3.8 16.5 1.0
O2P B:9D9301 3.9 12.3 1.0
O B:HOH510 4.0 9.3 1.0
CE1 B:HIS86 4.1 15.4 1.0
CB B:SER220 4.1 10.0 1.0
CB B:MET219 4.2 9.1 1.0
C11 B:9D9301 4.2 10.8 1.0
CG B:HIS86 4.2 14.9 1.0
CZ B:TYR88 4.3 12.1 1.0
OG B:SER220 4.5 10.8 1.0
C B:MET219 4.5 8.9 1.0
O B:MET219 4.6 9.5 1.0
ND1 B:HIS86 4.7 16.3 1.0
C10 B:9D9301 4.7 9.5 1.0
CA B:MET219 4.7 9.1 1.0
N B:SER220 4.8 9.0 1.0
N B:MET219 4.9 8.6 1.0
CD2 B:TYR88 4.9 11.8 1.0
O B:HOH619 4.9 25.3 1.0

Fluorine binding site 5 out of 6 in 3fuc

Go back to Fluorine Binding Sites List in 3fuc
Fluorine binding site 5 out of 6 in the Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F301

b:15.4
occ:1.00
F1 C:9D9301 0.0 15.4 1.0
C14 C:9D9301 1.3 14.6 1.0
F2 C:9D9301 2.2 16.1 1.0
C13 C:9D9301 2.4 13.2 1.0
P C:9D9301 2.6 12.4 1.0
O1P C:9D9301 3.0 12.5 1.0
C12 C:9D9301 3.0 14.5 1.0
O2P C:9D9301 3.3 14.7 1.0
NE2 C:HIS86 3.3 15.2 1.0
O C:HOH486 3.4 25.6 1.0
OH C:TYR88 3.5 17.6 1.0
OG C:SER33 3.7 19.8 1.0
O3P C:9D9301 3.8 14.0 1.0
CE1 C:HIS86 3.9 13.6 1.0
CD2 C:HIS86 4.1 14.7 1.0
C11 C:9D9301 4.4 14.0 1.0
CZ C:TYR88 4.6 12.8 1.0
CE2 C:TYR88 4.6 12.8 1.0
ND1 C:HIS86 4.8 15.4 1.0
CG C:HIS86 4.9 12.6 1.0
CZ A:PHE159 5.0 11.7 1.0
CB C:SER33 5.0 19.7 1.0

Fluorine binding site 6 out of 6 in 3fuc

Go back to Fluorine Binding Sites List in 3fuc
Fluorine binding site 6 out of 6 in the Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Recombinant Calf Purine Nucleoside Phosphorylase in A Binary Complex with Multisubstrate Analogue Inhibitor 9-(5',5'-Difluoro-5'- Phosphonopentyl)-9-Deazaguanine Structure in A New Space Group with One Full Trimer in the Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F301

b:16.1
occ:1.00
F2 C:9D9301 0.0 16.1 1.0
C14 C:9D9301 1.3 14.6 1.0
F1 C:9D9301 2.2 15.4 1.0
C13 C:9D9301 2.4 13.2 1.0
P C:9D9301 2.5 12.4 1.0
C12 C:9D9301 2.8 14.5 1.0
O3P C:9D9301 2.8 14.0 1.0
NE2 C:HIS86 3.0 15.2 1.0
O1P C:9D9301 3.1 12.5 1.0
CD2 C:HIS86 3.1 14.7 1.0
CE2 C:TYR88 3.8 12.8 1.0
O2P C:9D9301 3.8 14.7 1.0
OH C:TYR88 3.9 17.6 1.0
O C:HOH401 4.0 9.7 1.0
CB C:SER220 4.1 10.8 1.0
CE1 C:HIS86 4.1 13.6 1.0
CB C:MET219 4.2 9.6 1.0
CG C:HIS86 4.2 12.6 1.0
C11 C:9D9301 4.3 14.0 1.0
CZ C:TYR88 4.3 12.8 1.0
OG C:SER220 4.4 11.2 1.0
C C:MET219 4.4 9.1 1.0
O C:MET219 4.5 10.7 1.0
N C:SER220 4.7 9.0 1.0
C10 C:9D9301 4.7 11.5 1.0
CA C:MET219 4.7 9.2 1.0
ND1 C:HIS86 4.7 15.4 1.0
N C:MET219 4.8 8.6 1.0
O C:HOH486 4.8 25.6 1.0
CD2 C:TYR88 4.9 11.7 1.0
CA C:SER220 5.0 9.9 1.0

Reference:

G.Chojnowski, K.Breer, M.Narczyk, B.Wielgus-Kutrowska, H.Czapinska, M.Hashimoto, S.Hikishima, T.Yokomatsu, M.Bochtler, A.Girstun, K.Staron, A.Bzowska. 1.45 A Resolution Crystal Structure of Recombinant Pnp in Complex with A Pm Multisubstrate Analogue Inhibitor Bearing One Feature of the Postulated Transition State. Biochem.Biophys.Res.Commun. V. 391 703 2010.
ISSN: ISSN 0006-291X
PubMed: 19944078
DOI: 10.1016/J.BBRC.2009.11.124
Page generated: Sun Dec 13 11:46:25 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy